2-Nitrocinnamaldehyde
TL;DR: 2-Nitrocinnamaldehyde (CAS 149079-51-6) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-nitrophenyl)prop-2-enal
Also Known As: 2-Nitrocinnamaldehyde, trans-2-Nitrocinnamaldehyde, o-Nitrocinnamaldehyde, 3-(2-nitrophenyl)acrylaldehyde, (E)-3-(2-nitrophenyl)acrylaldehyde
Technical Specifications
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.04259 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.04259 Da |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
| SMILES | C1=CC=C(C(=C1)/C=C/C=O)[N+](=O)[O-] |
| InChIKey | VMSMELHEXDVEDE-HWKANZROSA-N |
Chemical Property Profile of 2-Nitrocinnamaldehyde
Property Insights of 2-Nitrocinnamaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrocinnamaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrocinnamaldehyde. Following Lipinski's Rule of Five, 2-Nitrocinnamaldehyde has 0 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 2-Nitrocinnamaldehyde?
The CAS number of 2-Nitrocinnamaldehyde is 149079-51-6.
What is the molecular formula of 2-Nitrocinnamaldehyde?
The molecular formula of 2-Nitrocinnamaldehyde is C9H7NO3.
What is the molecular weight of 2-Nitrocinnamaldehyde?
The molecular weight of 2-Nitrocinnamaldehyde is 177.04259 g/mol.
Where can I buy 2-Nitrocinnamaldehyde?
You can request a quote for 2-Nitrocinnamaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrocinnamaldehyde?
Yes, CoreyChem provides custom synthesis services for 2-Nitrocinnamaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.