2-(1,2-dihydroxyethyl)benzoic Acid
TL;DR: 2-(1,2-dihydroxyethyl)benzoic Acid (CAS 81065-84-1) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-dihydroxyethyl)benzoic acid
Also Known As: 2-(1,2-dihydroxyethyl)benzoic Acid, Benzoic acid, (1,2-dihydroxyethyl)-, 3-methyl-3-(1'-naphthyl)-1-butene
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 81065-84-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(CO)O)C(=O)O |
| InChIKey | GRJQTPXSCICXLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,2-dihydroxyethyl)benzoic Acid (CAS 81065-84-1), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 2-(1,2-dihydroxyethyl)benzoic acid.
Chemical Property Profile of 2-(1,2-dihydroxyethyl)benzoic Acid
Property Insights of 2-(1,2-dihydroxyethyl)benzoic Acid
The XLogP value of -0.1 indicates that 2-(1,2-dihydroxyethyl)benzoic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2-dihydroxyethyl)benzoic Acid. Following Lipinski's Rule of Five, 2-(1,2-dihydroxyethyl)benzoic Acid has 3 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-(1,2-dihydroxyethyl)benzoic Acid?
The CAS number of 2-(1,2-dihydroxyethyl)benzoic Acid is 81065-84-1.
What is the molecular formula of 2-(1,2-dihydroxyethyl)benzoic Acid?
The molecular formula of 2-(1,2-dihydroxyethyl)benzoic Acid is C9H10O4.
What is the molecular weight of 2-(1,2-dihydroxyethyl)benzoic Acid?
The molecular weight of 2-(1,2-dihydroxyethyl)benzoic Acid is 182.06 g/mol.
Where can I buy 2-(1,2-dihydroxyethyl)benzoic Acid?
You can request a quote for 2-(1,2-dihydroxyethyl)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-(1,2-dihydroxyethyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2-dihydroxyethyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.