![3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid structure](/static/products/6154/61547-40-8.webp)
3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid
TL;DR: 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid (CAS 61547-40-8) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetyloxyphenyl)prop-2-ynoic acid
Also Known As: 3-(2-acetyloxyphenyl)propynoic acid, 3-(2-acetyloxyphenyl)prop-2-ynoic acid, 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid
| Molecular Formula | C11H8O4 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.04225 |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 61547-40-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C#CC(=O)O |
| InChIKey | VNTTUKKQHLADDG-UHFFFAOYSA-N |
Product Overview
3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid (CAS 61547-40-8), with molecular formula C11H8O4 and molecular weight 204.04 g/mol. IUPAC: 3-(2-acetyloxyphenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid
Property Insights of 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid. Following Lipinski's Rule of Five, 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid has 1 hydrogen bond donor(s) and 4 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 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid?
The CAS number of 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid is 61547-40-8.
What is the molecular formula of 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid?
The molecular formula of 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid is C11H8O4.
What is the molecular weight of 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid?
The molecular weight of 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid is 204.04 g/mol.
Where can I buy 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid?
You can request a quote for 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.