4-硝基苯乙酸
TL;DR: 4-硝基苯乙酸 (CAS 104-03-0) 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.
4-硝基苯乙酸
2-(4-nitrophenyl)acetic acid
Also Known As: 4-Nitrophenylacetic acid, p-nitrophenylacetic acid, (4-Nitrophenyl)acetic acid, 2-(4-NITROPHENYL)ACETIC ACID, 4-Nitrobenzeneacetic acid
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.4 |
| 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 | 203.0 |
| Vapor Pressure | 0.0000291 [mmHg] |
Chemical Identifiers
| CAS Number | 104-03-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-] |
| InChIKey | YBADLXQNJCMBKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯乙酸 (CAS 104-03-0), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 2-(4-nitrophenyl)acetic acid.
Chemical Property Profile of 4-硝基苯乙酸
Property Insights of 4-硝基苯乙酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯乙酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯乙酸. Following Lipinski's Rule of Five, (4-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 (4-Nitrophenyl)acetic acid?
The CAS number of (4-Nitrophenyl)acetic acid is 104-03-0.
What is the molecular formula of (4-Nitrophenyl)acetic acid?
The molecular formula of (4-Nitrophenyl)acetic acid is C8H7NO4.
What is the molecular weight of (4-Nitrophenyl)acetic acid?
The molecular weight of (4-Nitrophenyl)acetic acid is 181.04 g/mol.
Where can I buy (4-Nitrophenyl)acetic acid?
You can request a quote for (4-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 (4-Nitrophenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.