3-(3-Nitrophenyl)prop-2-ynoic acid
TL;DR: 3-(3-Nitrophenyl)prop-2-ynoic acid (CAS 4996-15-0) is a chemical compound with molecular formula C9H5NO4 and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)prop-2-ynoic acid
Also Known As: (3-Nitrophenyl)-propynoic acid, 3-(3-nitrophenyl)prop-2-ynoic acid, 3-(3-Nitrophenyl)propiolic acid, -PROPYNOICACID, 3-Nitro-phenylpropiolsaure
| Molecular Formula | C9H5NO4 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.02185 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 4996-15-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C#CC(=O)O |
| InChIKey | LOZNNNHOSZGZOD-UHFFFAOYSA-N |
Product Overview
3-(3-Nitrophenyl)prop-2-ynoic acid (CAS 4996-15-0), with molecular formula C9H5NO4 and molecular weight 191.02 g/mol. IUPAC: 3-(3-nitrophenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(3-Nitrophenyl)prop-2-ynoic acid
Property Insights of 3-(3-Nitrophenyl)prop-2-ynoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenyl)prop-2-ynoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)prop-2-ynoic acid. Following Lipinski's Rule of Five, 3-(3-Nitrophenyl)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-(3-Nitrophenyl)prop-2-ynoic acid?
The CAS number of 3-(3-Nitrophenyl)prop-2-ynoic acid is 4996-15-0.
What is the molecular formula of 3-(3-Nitrophenyl)prop-2-ynoic acid?
The molecular formula of 3-(3-Nitrophenyl)prop-2-ynoic acid is C9H5NO4.
What is the molecular weight of 3-(3-Nitrophenyl)prop-2-ynoic acid?
The molecular weight of 3-(3-Nitrophenyl)prop-2-ynoic acid is 191.02 g/mol.
Where can I buy 3-(3-Nitrophenyl)prop-2-ynoic acid?
You can request a quote for 3-(3-Nitrophenyl)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-(3-Nitrophenyl)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenyl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.