(2-Nitrophenyl)acetic acid
TL;DR: (2-Nitrophenyl)acetic acid (CAS 3740-52-1) 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-(2-nitrophenyl)acetic acid
Also Known As: 2-Nitrophenylacetic acid, 2-(2-nitrophenyl)acetic acid, o-Nitrophenylacetic acid, (2-Nitrophenyl)acetic acid, Benzeneacetic acid, 2-nitro-
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.6 |
| 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 | 3740-52-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)[N+](=O)[O-] |
| InChIKey | WMUZDBZPDLHUMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Nitrophenyl)acetic acid (CAS 3740-52-1), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 2-(2-nitrophenyl)acetic acid.
Chemical Property Profile of (2-Nitrophenyl)acetic acid
Property Insights of (2-Nitrophenyl)acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitrophenyl)acetic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitrophenyl)acetic acid. Following Lipinski's Rule of Five, (2-Nitrophenyl)acetic 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 (2-Nitrophenyl)acetic acid?
The CAS number of (2-Nitrophenyl)acetic acid is 3740-52-1.
What is the molecular formula of (2-Nitrophenyl)acetic acid?
The molecular formula of (2-Nitrophenyl)acetic acid is C8H7NO4.
What is the molecular weight of (2-Nitrophenyl)acetic acid?
The molecular weight of (2-Nitrophenyl)acetic acid is 181.04 g/mol.
Where can I buy (2-Nitrophenyl)acetic acid?
You can request a quote for (2-Nitrophenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitrophenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitrophenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.