2-(Hydroxymethyl)benzoic acid
TL;DR: 2-(Hydroxymethyl)benzoic acid (CAS 612-20-4) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)benzoic acid
Also Known As: 2-(HYDROXYMETHYL)BENZOIC ACID, Oxytoluylsaure, 2-hydroxymethyl benzoic acid, 2-Hydroxymethylbenzoic acid, 2-methylolbenzoic acid
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| Melting Point | 127 - 128 °C |
| Solubility | 4.28 mg/mL at 20 °C |
Chemical Identifiers
| CAS Number | 612-20-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CO)C(=O)O |
| InChIKey | MGMNPSAERQZUIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hydroxymethyl)benzoic acid (CAS 612-20-4), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 2-(hydroxymethyl)benzoic acid.
Chemical Property Profile of 2-(Hydroxymethyl)benzoic acid
Property Insights of 2-(Hydroxymethyl)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)benzoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 2-(Hydroxymethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)benzoic acid 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 2-(Hydroxymethyl)benzoic acid?
The CAS number of 2-(Hydroxymethyl)benzoic acid is 612-20-4.
What is the molecular formula of 2-(Hydroxymethyl)benzoic acid?
The molecular formula of 2-(Hydroxymethyl)benzoic acid is C8H8O3.
What is the molecular weight of 2-(Hydroxymethyl)benzoic acid?
The molecular weight of 2-(Hydroxymethyl)benzoic acid is 152.05 g/mol.
Where can I buy 2-(Hydroxymethyl)benzoic acid?
You can request a quote for 2-(Hydroxymethyl)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-(Hydroxymethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.