Benzeneacetic acid, alpha-hydroxy-ar-methyl-
TL;DR: Benzeneacetic acid, alpha-hydroxy-ar-methyl- (CAS 81065-81-8) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(hydroxymethyl)phenyl]acetic acid
Also Known As: 2-[2-(hydroxymethyl)phenyl]acetic Acid, Benzeneacetic acid, 2-(hydroxymethyl)-, 2-(2-(Hydroxymethyl)phenyl)acetic acid, a-(hydroxymethyl)benzeneacetic acid, [2-(hydroxymethyl)phenyl]acetic acid
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 81065-81-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)CO |
| InChIKey | IXESBHJCRFUPPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha-hydroxy-ar-methyl- (CAS 81065-81-8), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2-[2-(hydroxymethyl)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-hydroxy-ar-methyl-
Property Insights of Benzeneacetic acid, alpha-hydroxy-ar-methyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-hydroxy-ar-methyl-. With a topological polar surface area (TPSA) of 57.5 Ų, Benzeneacetic acid, alpha-hydroxy-ar-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-hydroxy-ar-methyl- has 2 hydrogen bond donor(s) and 3 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 Benzeneacetic acid, alpha-hydroxy-ar-methyl-?
The CAS number of Benzeneacetic acid, alpha-hydroxy-ar-methyl- is 81065-81-8.
What is the molecular formula of Benzeneacetic acid, alpha-hydroxy-ar-methyl-?
The molecular formula of Benzeneacetic acid, alpha-hydroxy-ar-methyl- is C9H10O3.
What is the molecular weight of Benzeneacetic acid, alpha-hydroxy-ar-methyl-?
The molecular weight of Benzeneacetic acid, alpha-hydroxy-ar-methyl- is 166.06 g/mol.
Where can I buy Benzeneacetic acid, alpha-hydroxy-ar-methyl-?
You can request a quote for Benzeneacetic acid, alpha-hydroxy-ar-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-hydroxy-ar-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-hydroxy-ar-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.