2-Oxo-4-phenylbutanoic acid
2-Oxo-4-phenylbutanoic acid structure
|
Common Name | 2-Oxo-4-phenylbutanoic acid | ||
|---|---|---|---|---|
| CAS Number | 710-11-2 | Molecular Weight | 178.185 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 314.4±21.0 °C at 760 mmHg | |
| Molecular Formula | C10H10O3 | Melting Point | 47.0 to 51.0 deg-C | |
| MSDS | N/A | Flash Point | 158.1±18.6 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Oxo-4-phenylbutanoic 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 314.4±21.0 °C at 760 mmHg |
| Melting Point | 47.0 to 51.0 deg-C |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.185 |
| Flash Point | 158.1±18.6 °C |
| Exact Mass | 178.062988 |
| PSA | 54.37000 |
| LogP | 0.95 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.548 |
| InChIKey | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
| SMILES | O=C(O)C(=O)CCc1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
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CAS#:1012-05-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibitory concentration against cap-dependent endonuclease activity of influenza vir...
Source: ChEMBL
Target: Polymerase acidic protein
External Id: CHEMBL763331
|
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Name: Inhibition of cap 1 ALMV primed Influenza transcriptase
Source: ChEMBL
Target: Polymerase acidic protein
External Id: CHEMBL2040665
|
|
Name: Antiviral activity against influenza virus
Source: ChEMBL
Target: unidentified influenza virus
External Id: CHEMBL1034012
|
|
Name: Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructu...
Source: ChEMBL
Target: RNA-directed RNA polymerase
External Id: CHEMBL768322
|
|
Name: Inhibition of Staphylococcus aureus pyruvate carboxylase expressed in Escherichia col...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4396745
|
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Name: Antiviral activity against Hepatitis C virus
Source: ChEMBL
Target: Hepacivirus hominis
External Id: CHEMBL1033991
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Oxo-4-phenylbutanoic acid |
| MFCD00969471 |
| EINECS 211-916-7 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-Oxo-4-phenylbutanoic acid? |
| A: InChIKey of 2-Oxo-4-phenylbutanoic acid is PPKAIMDMNWBOKN-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-Oxo-4-phenylbutanoic acid? |
| A: Molecular weight of 2-Oxo-4-phenylbutanoic acid is 178.185. |
| Q: What is the safety information for 2-Oxo-4-phenylbutanoic acid? |
| A: Safety information for 2-Oxo-4-phenylbutanoic acid: 26-39. |
| Q: What is the melting point of 2-Oxo-4-phenylbutanoic acid? |
| A: Melting point of 2-Oxo-4-phenylbutanoic acid is 47.0 to 51.0 deg-C. |
| Q: What English synonyms does 2-Oxo-4-phenylbutanoic acid have? |
| A: English synonyms of 2-Oxo-4-phenylbutanoic acid: 2-Oxo-4-phenylbutanoic acid, MFCD00969471, EINECS 211-916-7. |
| Q: What is the LogP of 2-Oxo-4-phenylbutanoic acid? |
| A: LogP of 2-Oxo-4-phenylbutanoic acid is 0.95. |
| Q: What is the polar surface area (PSA) of 2-Oxo-4-phenylbutanoic acid? |
| A: Polar surface area (PSA) of 2-Oxo-4-phenylbutanoic acid is 54.37000. |
| Q: What is the SMILES notation of 2-Oxo-4-phenylbutanoic acid? |
| A: SMILES notation of 2-Oxo-4-phenylbutanoic acid is O=C(O)C(=O)CCc1ccccc1. |
| Q: What is the CAS number of 2-Oxo-4-phenylbutanoic acid? |
| A: CAS number of 2-Oxo-4-phenylbutanoic acid is 710-11-2. |
| Q: What is the English name of 2-Oxo-4-phenylbutanoic acid? |
| A: The English name of 2-Oxo-4-phenylbutanoic acid is 2-Oxo-4-phenylbutanoic acid. |
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. |