3-Nitrophenylacetic acid
TL;DR: 3-Nitrophenylacetic acid (CAS 1877-73-2) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)acetic acid
Also Known As: 3-Nitrophenylacetic acid, (3-nitrophenyl)acetic acid, 2-(3-NITROPHENYL)ACETIC ACID, m-Nitrophenylacetic acid, 3-Nitrobenzeneacetic acid
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 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 | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 1877-73-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O |
| InChIKey | WUKHOVCMWXMOOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrophenylacetic acid (CAS 1877-73-2), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 2-(3-nitrophenyl)acetic acid.
Chemical Property Profile of 3-Nitrophenylacetic acid
Property Insights of 3-Nitrophenylacetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenylacetic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenylacetic acid. Following Lipinski's Rule of Five, 3-Nitrophenylacetic 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-Nitrophenylacetic acid?
The CAS number of 3-Nitrophenylacetic acid is 1877-73-2.
What is the molecular formula of 3-Nitrophenylacetic acid?
The molecular formula of 3-Nitrophenylacetic acid is C8H7NO4.
What is the molecular weight of 3-Nitrophenylacetic acid?
The molecular weight of 3-Nitrophenylacetic acid is 181.04 g/mol.
Where can I buy 3-Nitrophenylacetic acid?
You can request a quote for 3-Nitrophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.