p-Nitromandelic acid
TL;DR: p-Nitromandelic acid (CAS 10098-39-2) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-(4-nitrophenyl)acetic acid
Also Known As: 2-hydroxy-2-(4-nitrophenyl)acetic acid, 4-Nitrophenylglycolic acid, p-nitromandelic acid, p-nitro-mandelic acid, (4-nitrophenyl)(hydroxy)acetic acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 197.03242 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 Da |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
| SMILES | C1=CC(=CC=C1C(C(=O)O)O)[N+](=O)[O-] |
| InChIKey | ZSMJZVLXJDNZHG-UHFFFAOYSA-N |
Chemical Property Profile of p-Nitromandelic acid
Property Insights of p-Nitromandelic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitromandelic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitromandelic acid. Following Lipinski's Rule of Five, p-Nitromandelic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Nitromandelic acid?
The CAS number of p-Nitromandelic acid is 10098-39-2.
What is the molecular formula of p-Nitromandelic acid?
The molecular formula of p-Nitromandelic acid is C8H7NO5.
What is the molecular weight of p-Nitromandelic acid?
The molecular weight of p-Nitromandelic acid is 197.03242 g/mol.
Where can I buy p-Nitromandelic acid?
You can request a quote for p-Nitromandelic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Nitromandelic acid?
Yes, CoreyChem provides custom synthesis services for p-Nitromandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.