![4-[(E)-2-Nitrovinyl]benzoic acid structure](/static/products/821/821797-33-5.png)
4-[(E)-2-Nitrovinyl]benzoic acid
TL;DR: 4-[(E)-2-Nitrovinyl]benzoic acid (CAS 821797-33-5) 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.
4-[(E)-2-nitroethenyl]benzoic acid
Also Known As: 1-(4-Carboxyphenyl)-2-nitroethene, 4-[(E)-2-Nitrovinyl]benzoic acid, 4-(2-nitrovinyl)benzoic acid, 4-[(E)-2-nitroethenyl]benzoic Acid, 4-[(1E)-2-nitroethenyl]benzoic acid
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.6322 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 380.30334 |
Chemical Identifiers
| CAS Number | 821797-33-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/[N+](=O)[O-])C(=O)O |
Product Overview
4-[(E)-2-Nitrovinyl]benzoic acid (CAS 821797-33-5), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 4-[(E)-2-nitroethenyl]benzoic acid.
Chemical Property Profile of 4-[(E)-2-Nitrovinyl]benzoic acid
Property Insights of 4-[(E)-2-Nitrovinyl]benzoic acid
The XLogP value of 1.6322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-2-Nitrovinyl]benzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-2-Nitrovinyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-2-Nitrovinyl]benzoic acid 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 4-[(E)-2-Nitrovinyl]benzoic acid?
The CAS number of 4-[(E)-2-Nitrovinyl]benzoic acid is 821797-33-5.
What is the molecular formula of 4-[(E)-2-Nitrovinyl]benzoic acid?
The molecular formula of 4-[(E)-2-Nitrovinyl]benzoic acid is C9H7NO4.
What is the molecular weight of 4-[(E)-2-Nitrovinyl]benzoic acid?
The molecular weight of 4-[(E)-2-Nitrovinyl]benzoic acid is 193.04 g/mol.
Where can I buy 4-[(E)-2-Nitrovinyl]benzoic acid?
You can request a quote for 4-[(E)-2-Nitrovinyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-2-Nitrovinyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-2-Nitrovinyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.