Acetic acid 3-(2-nitrovinyl)-phenyl ester
TL;DR: Acetic acid 3-(2-nitrovinyl)-phenyl ester (CAS 14585-95-6) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-nitroethenyl)phenyl] acetate
Also Known As: 3-(2-nitroethenyl)phenyl acetate, [3-(2-nitroethenyl)phenyl] acetate, [3-[(E)-2-nitroethenyl]phenyl] acetate, Acetic acid 3-(2-nitrovinyl)-phenyl ester
Technical Specifications
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.05316 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 Da |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
| SMILES | CC(=O)OC1=CC=CC(=C1)C=C[N+](=O)[O-] |
| InChIKey | BBSUWGYHOQWQEX-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid 3-(2-nitrovinyl)-phenyl ester
Property Insights of Acetic acid 3-(2-nitrovinyl)-phenyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 3-(2-nitrovinyl)-phenyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 3-(2-nitrovinyl)-phenyl ester. Following Lipinski's Rule of Five, Acetic acid 3-(2-nitrovinyl)-phenyl ester has 0 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 Acetic acid 3-(2-nitrovinyl)-phenyl ester?
The CAS number of Acetic acid 3-(2-nitrovinyl)-phenyl ester is 14585-95-6.
What is the molecular formula of Acetic acid 3-(2-nitrovinyl)-phenyl ester?
The molecular formula of Acetic acid 3-(2-nitrovinyl)-phenyl ester is C10H9NO4.
What is the molecular weight of Acetic acid 3-(2-nitrovinyl)-phenyl ester?
The molecular weight of Acetic acid 3-(2-nitrovinyl)-phenyl ester is 207.05316 g/mol.
Where can I buy Acetic acid 3-(2-nitrovinyl)-phenyl ester?
You can request a quote for Acetic acid 3-(2-nitrovinyl)-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid 3-(2-nitrovinyl)-phenyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid 3-(2-nitrovinyl)-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.