![3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate structure](/static/products/114/114430-13-6.webp)
3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate
TL;DR: 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate (CAS 114430-13-6) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-3-(2-methoxyphenyl)-2-nitroprop-2-enyl] acetate
Also Known As: 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate, [(Z)-3-(2-methoxyphenyl)-2-nitroprop-2-enyl] acetate, 2-Propen-1-ol, 3-(2-methoxyphenyl)-2-nitro-, acetate (ester), [(Z)-3-(2-methoxyphenyl)-2-nitro-prop-2-enyl] Acetate
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| SMILES | CC(=O)OC/C(=C/C1=CC=CC=C1OC)/[N+](=O)[O-] |
| InChIKey | BTLGRVMXGCOGOR-XFFZJAGNSA-N |
Chemical Property Profile of 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate
Property Insights of 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate. Following Lipinski's Rule of Five, 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate has 0 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 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate?
The CAS number of 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate is 114430-13-6.
What is the molecular formula of 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate?
The molecular formula of 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate is C12H13NO5.
What is the molecular weight of 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate?
The molecular weight of 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate is 251.07938 g/mol.
Where can I buy 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate?
You can request a quote for 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methoxyphenyl)-2-nitroprop-2-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.