氰乙酸
TL;DR: 氰乙酸 (CAS 372-09-8) is a chemical compound with molecular formula C3H3NO2 and molecular weight 85.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰乙酸
2-cyanoacetic acid
Also Known As: CYANOACETIC ACID, 2-Cyanoacetic acid, Malonic mononitrile, Acetic acid, cyano-, Cyanessigsaeure
| Molecular Formula | C3H3NO2 |
|---|---|
| Molecular Weight | 85.02 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.01638 |
| Heavy Atoms | 6 |
| Complexity | 98.0 |
| Melting Point | 66.1 °C |
| Boiling Point | 108 °C at 15 mm Hg |
| Density | greater than 1.1 at 20.0 °C |
| Solubility | Sol in water, alcohol, ether; slightly sol in benzene, chloroform |
| Vapor Pressure | 0.03 [mmHg] |
Chemical Identifiers
| CAS Number | 372-09-8 |
|---|---|
| SMILES | C(C#N)C(=O)O |
| InChIKey | MLIREBYILWEBDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氰乙酸 (CAS 372-09-8), with molecular formula C3H3NO2 and molecular weight 85.02 g/mol. IUPAC: 2-cyanoacetic acid.
Chemical Property Profile of 氰乙酸
Property Insights of 氰乙酸
The XLogP value of -0.8 indicates that 氰乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 氰乙酸. Following Lipinski's Rule of Five, 氰乙酸 has 1 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 氰乙酸?
The CAS number of 氰乙酸 is 372-09-8.
What is the molecular formula of 氰乙酸?
The molecular formula of 氰乙酸 is C3H3NO2.
What is the molecular weight of 氰乙酸?
The molecular weight of 氰乙酸 is 85.02 g/mol.
Where can I buy 氰乙酸?
You can request a quote for 氰乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰乙酸?
Yes, KEHONG BIO provides custom synthesis services for 氰乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.