2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)
TL;DR: 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester) (CAS 114430-12-5) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-3-(4-methylphenyl)-2-nitroprop-2-enyl] acetate
Also Known As: [(Z)-3-(4-methylphenyl)-2-nitro-prop-2-enyl] Acetate|[(Z)-3-(4-methylphenyl)-2-nitroprop-2-enyl] acetate|2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)|Acetic acid 2-nitro-3-[4-methylphenyl]-2-propenyl ester
Technical Specifications
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.08446 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 Da |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
| SMILES | CC1=CC=C(C=C1)/C=C(/COC(=O)C)\[N+](=O)[O-] |
| InChIKey | ZSSVLMUVBQUERX-GHXNOFRVSA-N |
Chemical Property Profile of 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)
Property Insights of 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester). The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester). Following Lipinski's Rule of Five, 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (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 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)?
The CAS number of 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester) is 114430-12-5.
What is the molecular formula of 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)?
The molecular formula of 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester) is C12H13NO4.
What is the molecular weight of 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)?
The molecular weight of 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester) is 235.08446 g/mol.
Where can I buy 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)?
You can request a quote for 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester)?
Yes, CoreyChem provides custom synthesis services for 2-Propen-1-ol, 3-(4-methylphenyl)-2-nitro-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.