丙炔酸
TL;DR: 丙炔酸 (CAS 471-25-0) is a chemical compound with molecular formula C3H2O2 and molecular weight 70.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙炔酸
prop-2-ynoic acid
Also Known As: PROPIOLIC ACID, 2-Propynoic acid, Propargylic acid, Propynoic acid, prop-2-ynoic acid
| Molecular Formula | C3H2O2 |
|---|---|
| Molecular Weight | 70.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 70.00548 |
| Heavy Atoms | 5 |
| Complexity | 84.0 |
| Melting Point | 18 °C |
| Boiling Point | 144 °C (decomposes) |
| Density | 1.1380 g/cu cm at 20 °C |
| Solubility | Very soluble in water, ether, ethanol, chloroform |
| Flash Point | 58 °C (57.8 °C) - closed cup |
| Vapor Pressure | 3.5 [mmHg] |
| Refractive Index | 1.4306 at 20 °C |
Chemical Identifiers
| CAS Number | 471-25-0 |
|---|---|
| SMILES | C#CC(=O)O |
| InChIKey | UORVCLMRJXCDCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙炔酸 (CAS 471-25-0), with molecular formula C3H2O2 and molecular weight 70.01 g/mol. IUPAC: prop-2-ynoic acid.
Chemical Property Profile of 丙炔酸
Property Insights of 丙炔酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙炔酸. With a topological polar surface area (TPSA) of 37.3 Ų, 丙炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔酸 has 1 hydrogen bond donor(s) and 2 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 丙炔酸?
The CAS number of 丙炔酸 is 471-25-0.
What is the molecular formula of 丙炔酸?
The molecular formula of 丙炔酸 is C3H2O2.
What is the molecular weight of 丙炔酸?
The molecular weight of 丙炔酸 is 70.01 g/mol.
Where can I buy 丙炔酸?
You can request a quote for 丙炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔酸?
Yes, KEHONG BIO provides custom synthesis services for 丙炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.