2-Methyl-2-(4-nitrophenyl)propanoic acid
TL;DR: 2-Methyl-2-(4-nitrophenyl)propanoic acid (CAS 42617-28-7) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-(4-nitrophenyl)propanoic acid
Also Known As: 2-methyl-2-(4-nitrophenyl)propanoic acid, 2-Methyl-2-(4-nitrophenyl)-propionic acid, Sodium thiophenoxide, methylnitrophenylpropanoicacid, 2-METHYL-2- -PROPIONICACID
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
| SMILES | CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | AFRRWJPNQKSTEY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-2-(4-nitrophenyl)propanoic acid
Property Insights of 2-Methyl-2-(4-nitrophenyl)propanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(4-nitrophenyl)propanoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-(4-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-Methyl-2-(4-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
What is the CAS number of 2-Methyl-2-(4-nitrophenyl)propanoic acid?
The CAS number of 2-Methyl-2-(4-nitrophenyl)propanoic acid is 42617-28-7.
What is the molecular formula of 2-Methyl-2-(4-nitrophenyl)propanoic acid?
The molecular formula of 2-Methyl-2-(4-nitrophenyl)propanoic acid is C10H11NO4.
What is the molecular weight of 2-Methyl-2-(4-nitrophenyl)propanoic acid?
The molecular weight of 2-Methyl-2-(4-nitrophenyl)propanoic acid is 209.0688 g/mol.
Where can I buy 2-Methyl-2-(4-nitrophenyl)propanoic acid?
You can request a quote for 2-Methyl-2-(4-nitrophenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2-(4-nitrophenyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2-(4-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.