(2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid
TL;DR: (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid (CAS 1424390-73-7) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid
Also Known As: 2-Cyano-3-(4-methylphenyl)acrylic acid, 2-Cyano-3-(p-tolyl)acrylic acid, (E)-2-cyano-3-(p-tolyl)acrylic acid, cyanomethylphenylacrylicacid, 2-CYANO-3- ACRYLICACID
Technical Specifications
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.06332 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 Da |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
| SMILES | CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O |
| InChIKey | VSMAAVBAABUVMQ-UXBLZVDNSA-N |
Chemical Property Profile of (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid
Property Insights of (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid 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 (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid?
The CAS number of (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid is 1424390-73-7.
What is the molecular formula of (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid?
The molecular formula of (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid is C11H9NO2.
What is the molecular weight of (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid?
The molecular weight of (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid is 187.06332 g/mol.
Where can I buy (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid?
You can request a quote for (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-2-Cyano-3-(4-methylphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.