o-Nitrocinnamide
TL;DR: o-Nitrocinnamide (CAS 1253584-31-4) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-nitrophenyl)prop-2-enamide
Also Known As: o-Nitrocinnamide, 2-Nitrocinnamamide, o-Nitrobenzylidene acetamide, 3-{2-nitrophenyl}acrylamide, 3-(2-nitrophenyl)prop-2-enamide
Technical Specifications
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.0535 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 Da |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)N)[N+](=O)[O-] |
| InChIKey | RASLWNGTMHFPIQ-AATRIKPKSA-N |
Chemical Property Profile of o-Nitrocinnamide
Property Insights of o-Nitrocinnamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Nitrocinnamide. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Nitrocinnamide. Following Lipinski's Rule of Five, o-Nitrocinnamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of o-Nitrocinnamide?
The CAS number of o-Nitrocinnamide is 1253584-31-4.
What is the molecular formula of o-Nitrocinnamide?
The molecular formula of o-Nitrocinnamide is C9H8N2O3.
What is the molecular weight of o-Nitrocinnamide?
The molecular weight of o-Nitrocinnamide is 192.0535 g/mol.
Where can I buy o-Nitrocinnamide?
You can request a quote for o-Nitrocinnamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Nitrocinnamide?
Yes, CoreyChem provides custom synthesis services for o-Nitrocinnamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.