2-Propenoic acid, 3-(nitrophenyl)-
TL;DR: 2-Propenoic acid, 3-(nitrophenyl)- (CAS 612-41-9) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrophenyl)prop-2-enoic acid
Also Known As: 2-Nitrocinnamic acid, o-Nitrocinnamic acid, 2-NitrocinnamicAcid, 3-(2-nitrophenyl)acrylic acid, 2-Propenoic acid, 3-(nitrophenyl)-
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 612-41-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC(=O)O)[N+](=O)[O-] |
| InChIKey | BBQDLDVSEDAYAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(nitrophenyl)- (CAS 612-41-9), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 3-(2-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 3-(nitrophenyl)-
Property Insights of 2-Propenoic acid, 3-(nitrophenyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(nitrophenyl)-. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(nitrophenyl)- 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 2-Propenoic acid, 3-(nitrophenyl)-?
The CAS number of 2-Propenoic acid, 3-(nitrophenyl)- is 612-41-9.
What is the molecular formula of 2-Propenoic acid, 3-(nitrophenyl)-?
The molecular formula of 2-Propenoic acid, 3-(nitrophenyl)- is C9H7NO4.
What is the molecular weight of 2-Propenoic acid, 3-(nitrophenyl)-?
The molecular weight of 2-Propenoic acid, 3-(nitrophenyl)- is 193.04 g/mol.
Where can I buy 2-Propenoic acid, 3-(nitrophenyl)-?
You can request a quote for 2-Propenoic acid, 3-(nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.