2-Methyl-2-(2-nitrophenyl)propanoic acid
TL;DR: 2-Methyl-2-(2-nitrophenyl)propanoic acid (CAS 126802-52-6) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(2-nitrophenyl)propanoic acid
Also Known As: 2-Methyl-2-(2-nitrophenyl)propanoic acid, 2-Methyl-2-(2-nitrophenyl)propanoicacid, Benzeneacetic acid, alpha,alpha-dimethyl-2-nitro-, 2-Methyl-2-(2-nitrophenyl)propanoic acid #, Benzeneacetic acid,
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 126802-52-6 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1[N+](=O)[O-])C(=O)O |
| InChIKey | MBYUEHBQZXQBKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-(2-nitrophenyl)propanoic acid (CAS 126802-52-6), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2-methyl-2-(2-nitrophenyl)propanoic acid.
Chemical Property Profile of 2-Methyl-2-(2-nitrophenyl)propanoic acid
Property Insights of 2-Methyl-2-(2-nitrophenyl)propanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(2-nitrophenyl)propanoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-(2-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-Methyl-2-(2-nitrophenyl)propanoic 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-Methyl-2-(2-nitrophenyl)propanoic acid?
The CAS number of 2-Methyl-2-(2-nitrophenyl)propanoic acid is 126802-52-6.
What is the molecular formula of 2-Methyl-2-(2-nitrophenyl)propanoic acid?
The molecular formula of 2-Methyl-2-(2-nitrophenyl)propanoic acid is C10H11NO4.
What is the molecular weight of 2-Methyl-2-(2-nitrophenyl)propanoic acid?
The molecular weight of 2-Methyl-2-(2-nitrophenyl)propanoic acid is 209.07 g/mol.
Where can I buy 2-Methyl-2-(2-nitrophenyl)propanoic acid?
You can request a quote for 2-Methyl-2-(2-nitrophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(2-nitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(2-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.