2-Acetyl-3-nitrobenzoic acid
TL;DR: 2-Acetyl-3-nitrobenzoic acid (CAS 955-24-8) is a chemical compound with molecular formula C9H7NO5 and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-nitrobenzoic acid
Also Known As: 2-Acetyl-3-nitrobenzoic acid, 2-Acetyl-3-nitro-benzoic acid, 2-ACETYL-3-NITROBENZOICACID, RefChem:255067
| Molecular Formula | C9H7NO5 |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.03242 |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 955-24-8 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)O |
| InChIKey | FWLJWRLEBQQLSX-UHFFFAOYSA-N |
Product Overview
2-Acetyl-3-nitrobenzoic acid (CAS 955-24-8), with molecular formula C9H7NO5 and molecular weight 209.03 g/mol. IUPAC: 2-acetyl-3-nitrobenzoic acid.
Chemical Property Profile of 2-Acetyl-3-nitrobenzoic acid
Property Insights of 2-Acetyl-3-nitrobenzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-nitrobenzoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-Acetyl-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 5 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-Acetyl-3-nitrobenzoic acid?
The CAS number of 2-Acetyl-3-nitrobenzoic acid is 955-24-8.
What is the molecular formula of 2-Acetyl-3-nitrobenzoic acid?
The molecular formula of 2-Acetyl-3-nitrobenzoic acid is C9H7NO5.
What is the molecular weight of 2-Acetyl-3-nitrobenzoic acid?
The molecular weight of 2-Acetyl-3-nitrobenzoic acid is 209.03 g/mol.
Where can I buy 2-Acetyl-3-nitrobenzoic acid?
You can request a quote for 2-Acetyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.