2-(3-CARBOXYPHENYL)PROPIONIC ACID
2-(3-CARBOXYPHENYL)PROPIONIC ACID structure
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Common Name | 2-(3-CARBOXYPHENYL)PROPIONIC ACID | ||
|---|---|---|---|---|
| CAS Number | 68432-95-1 | Molecular Weight | 194.18400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C10H10O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: Ketorolac-related substance C, also known as 3-(1-carboxyethyl)benzoic acid or 2-(3-CARBOXYPHENYL)PROPIONIC ACID, has a CAS number of 68432-95-1, with a molecular formula of C10H10O4 and a molecular weight of 194.18400. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(1-carboxyethyl)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.
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.18400 |
| Exact Mass | 194.05800 |
| PSA | 74.60000 |
| LogP | 1.57290 |
| InChIKey | RIXOZEBXQQUHQW-UHFFFAOYSA-N |
| SMILES | CC(C(=O)O)c1cccc(C(=O)O)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| RIDADR | NONH for all modes of transport |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
2-(3-CARBOXYPHE... CAS#:68432-95-1 |
| Literature: Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 33, # 1 p. 27 - 31 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of CXCL8-induced chemotaxis of human polymorphonuclear cells at 10e-8 M: n...
Source: ChEMBL
Target: C-X-C chemokine receptor type 1
External Id: CHEMBL877357
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(3-Carboxyphenyl)-propionsaeure |
| 2-(3-CARBOXYPHENYL)PROPANOIC ACID |
| 2-(3-Carboxyphenyl)propionic acid |
| rac-3-Carboxy-|A-methyl-benzeneacetic Acid |
| 3-Carboxy-|A-methylbenzeneacetic Acid(Ketoprofen Impurity) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-(1-carboxyethyl)benzoic acid? |
| A: InChIKey of 3-(1-carboxyethyl)benzoic acid is RIXOZEBXQQUHQW-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 3-(1-carboxyethyl)benzoic acid? |
| A: Related upstream materials(CAS) of 3-(1-carboxyethyl)benzoic acid: 5537-71-3. |
| Q: What is the polar surface area (PSA) of 3-(1-carboxyethyl)benzoic acid? |
| A: Polar surface area (PSA) of 3-(1-carboxyethyl)benzoic acid is 74.60000. |
| Q: What is the English name of 3-(1-carboxyethyl)benzoic acid? |
| A: The English name of 3-(1-carboxyethyl)benzoic acid is 3-(1-carboxyethyl)benzoic acid. |
| Q: What is the LogP of 3-(1-carboxyethyl)benzoic acid? |
| A: LogP of 3-(1-carboxyethyl)benzoic acid is 1.57290. |
| Q: What is the CAS number of 3-(1-carboxyethyl)benzoic acid? |
| A: CAS number of 3-(1-carboxyethyl)benzoic acid is 68432-95-1. |
| Q: What is the molecular weight of 3-(1-carboxyethyl)benzoic acid? |
| A: Molecular weight of 3-(1-carboxyethyl)benzoic acid is 194.18400. |
| Q: What English synonyms does 3-(1-carboxyethyl)benzoic acid have? |
| A: English synonyms of 3-(1-carboxyethyl)benzoic acid: 2-(3-Carboxyphenyl)-propionsaeure, 2-(3-CARBOXYPHENYL)PROPANOIC ACID, 2-(3-Carboxyphenyl)propionic acid, rac-3-Carboxy-|A-methyl-benzeneacetic Acid, 3-Carboxy-|A-methylbenzeneacetic Acid(Ketoprofen Impurity). |
| Q: What is the SMILES notation of 3-(1-carboxyethyl)benzoic acid? |
| A: SMILES notation of 3-(1-carboxyethyl)benzoic acid is CC(C(=O)O)c1cccc(C(=O)O)c1. |
| Q: What is the molecular formula of 3-(1-carboxyethyl)benzoic acid? |
| A: Molecular formula of 3-(1-carboxyethyl)benzoic acid is C10H10O4. |
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. |