2-(2-Carboxyethenyl)benzoic acid
TL;DR: 2-(2-Carboxyethenyl)benzoic acid (CAS 612-40-8) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxyethenyl)benzoic acid
Also Known As: 2-Carboxycinnamic acid, 2-(2-Carboxyvinyl)benzoic acid, 2-carboxylcinnamic acid, 2-carboxy cinnamic acid, 2-(2-carboxyethenyl)benzoic acid
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 612-40-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC(=O)O)C(=O)O |
| InChIKey | SCWPNMHQRGNQHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Carboxyethenyl)benzoic acid (CAS 612-40-8), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: 2-(2-carboxyethenyl)benzoic acid.
Chemical Property Profile of 2-(2-Carboxyethenyl)benzoic acid
Property Insights of 2-(2-Carboxyethenyl)benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Carboxyethenyl)benzoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Carboxyethenyl)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Carboxyethenyl)benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Carboxyethenyl)benzoic acid?
The CAS number of 2-(2-Carboxyethenyl)benzoic acid is 612-40-8.
What is the molecular formula of 2-(2-Carboxyethenyl)benzoic acid?
The molecular formula of 2-(2-Carboxyethenyl)benzoic acid is C10H8O4.
What is the molecular weight of 2-(2-Carboxyethenyl)benzoic acid?
The molecular weight of 2-(2-Carboxyethenyl)benzoic acid is 192.04 g/mol.
Where can I buy 2-(2-Carboxyethenyl)benzoic acid?
You can request a quote for 2-(2-Carboxyethenyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Carboxyethenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Carboxyethenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.