2-(3-methoxybenzoyl)benzoic acid
2-(3-methoxybenzoyl)benzoic acid structure
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Common Name | 2-(3-methoxybenzoyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 2159-36-6 | Molecular Weight | 256.25300 | |
| Density | 1.255g/cm3 | Boiling Point | 477.6ºC at 760 mmHg | |
| Molecular Formula | C15H12O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 183.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-methoxybenzoyl)benzoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.255g/cm3 |
|---|---|
| Boiling Point | 477.6ºC at 760 mmHg |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.25300 |
| Flash Point | 183.5ºC |
| Exact Mass | 256.07400 |
| PSA | 63.60000 |
| LogP | 2.62440 |
| Vapour Pressure | 6.25E-10mmHg at 25°C |
| Index of Refraction | 1.598 |
| InChIKey | HYIUJFPCYPAQBT-UHFFFAOYSA-N |
| SMILES | COc1cccc(C(=O)c2ccccc2C(=O)O)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~66%
2-(3-methoxyben... CAS#:2159-36-6 |
| Literature: Parham; Bradsher; Edgar Journal of Organic Chemistry, 1981 , vol. 46, # 6 p. 1057 - 1061 |
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~%
2-(3-methoxyben... CAS#:2159-36-6 |
| Literature: Edgar; Bradsher Journal of Organic Chemistry, 1982 , vol. 47, # 8 p. 1585 - 1587 |
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~%
2-(3-methoxyben... CAS#:2159-36-6 |
| Literature: Edgar; Bradsher Journal of Organic Chemistry, 1982 , vol. 47, # 8 p. 1585 - 1587 |
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~%
2-(3-methoxyben... CAS#:2159-36-6 |
| Literature: Edgar; Bradsher Journal of Organic Chemistry, 1982 , vol. 47, # 8 p. 1585 - 1587 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-<3-Methoxy-benzoyl>-benzoesaeure |
| 3'-Methoxy-2-benzoyl-benzoesaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-(3-methoxybenzoyl)benzoic acid? |
| A: SMILES notation of 2-(3-methoxybenzoyl)benzoic acid is COc1cccc(C(=O)c2ccccc2C(=O)O)c1. |
| Q: What is the LogP of 2-(3-methoxybenzoyl)benzoic acid? |
| A: LogP of 2-(3-methoxybenzoyl)benzoic acid is 2.62440. |
| Q: What is the CAS number of 2-(3-methoxybenzoyl)benzoic acid? |
| A: CAS number of 2-(3-methoxybenzoyl)benzoic acid is 2159-36-6. |
| Q: What is the polar surface area (PSA) of 2-(3-methoxybenzoyl)benzoic acid? |
| A: Polar surface area (PSA) of 2-(3-methoxybenzoyl)benzoic acid is 63.60000. |
| Q: What English synonyms does 2-(3-methoxybenzoyl)benzoic acid have? |
| A: English synonyms of 2-(3-methoxybenzoyl)benzoic acid: 2--benzoesaeure, 3'-Methoxy-2-benzoyl-benzoesaeure. |
| Q: What is the molecular formula of 2-(3-methoxybenzoyl)benzoic acid? |
| A: Molecular formula of 2-(3-methoxybenzoyl)benzoic acid is C15H12O4. |
| Q: What are the upstream materials of 2-(3-methoxybenzoyl)benzoic acid? |
| A: Related upstream materials(CAS) of 2-(3-methoxybenzoyl)benzoic acid: 1711-05-3;57901-57-2;80764-43-8;19312-06-2. |
| Q: What is the molecular weight of 2-(3-methoxybenzoyl)benzoic acid? |
| A: Molecular weight of 2-(3-methoxybenzoyl)benzoic acid is 256.25300. |
| Q: What is the English name of 2-(3-methoxybenzoyl)benzoic acid? |
| A: The English name of 2-(3-methoxybenzoyl)benzoic acid is 2-(3-methoxybenzoyl)benzoic acid. |
| Q: What is the Chinese name of 2159-36-6? |
| A: Chinese name of 2159-36-6 is 2159-36-6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |