Hydroxy(3-hydroxyphenyl)acetonitrile
TL;DR: Hydroxy(3-hydroxyphenyl)acetonitrile (CAS 53313-95-4) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(3-hydroxyphenyl)acetonitrile
Also Known As: 3-Hydroxymandelonitrile, m-Hydroxymandelonitrile, MANDELONITRILE, m-HYDROXY-, 2-hydroxy-2-(3-hydroxyphenyl)acetonitrile, (m-Hydroxyphenyl)glycolonitrile
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 53313-95-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)C(C#N)O |
| InChIKey | ATGRXWCYTKIXIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxy(3-hydroxyphenyl)acetonitrile (CAS 53313-95-4), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 2-hydroxy-2-(3-hydroxyphenyl)acetonitrile.
Chemical Property Profile of Hydroxy(3-hydroxyphenyl)acetonitrile
Property Insights of Hydroxy(3-hydroxyphenyl)acetonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxy(3-hydroxyphenyl)acetonitrile. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxy(3-hydroxyphenyl)acetonitrile. Following Lipinski's Rule of Five, Hydroxy(3-hydroxyphenyl)acetonitrile 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 Hydroxy(3-hydroxyphenyl)acetonitrile?
The CAS number of Hydroxy(3-hydroxyphenyl)acetonitrile is 53313-95-4.
What is the molecular formula of Hydroxy(3-hydroxyphenyl)acetonitrile?
The molecular formula of Hydroxy(3-hydroxyphenyl)acetonitrile is C8H7NO2.
What is the molecular weight of Hydroxy(3-hydroxyphenyl)acetonitrile?
The molecular weight of Hydroxy(3-hydroxyphenyl)acetonitrile is 149.05 g/mol.
Where can I buy Hydroxy(3-hydroxyphenyl)acetonitrile?
You can request a quote for Hydroxy(3-hydroxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxy(3-hydroxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Hydroxy(3-hydroxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.