2-(2,2-Dicyanovinyl)benzoic acid
TL;DR: 2-(2,2-Dicyanovinyl)benzoic acid (CAS 36938-02-0) is a chemical compound with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dicyanoethenyl)benzoic acid
Also Known As: 2-(2,2-Dicyanovinyl)benzoic acid, 2-(2,2-dicyanoethenyl)benzoic acid, 2-(2,2-dicyanoeth-1-en-1-yl)benzoic acid
| Molecular Formula | C11H6N2O2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04292 |
| Heavy Atoms | 15 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 36938-02-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C#N)C(=O)O |
| InChIKey | YUXGAGACINXLBI-UHFFFAOYSA-N |
Product Overview
2-(2,2-Dicyanovinyl)benzoic acid (CAS 36938-02-0), with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol. IUPAC: 2-(2,2-dicyanoethenyl)benzoic acid.
Chemical Property Profile of 2-(2,2-Dicyanovinyl)benzoic acid
Property Insights of 2-(2,2-Dicyanovinyl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dicyanovinyl)benzoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dicyanovinyl)benzoic acid. Following Lipinski's Rule of Five, 2-(2,2-Dicyanovinyl)benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,2-Dicyanovinyl)benzoic acid?
The CAS number of 2-(2,2-Dicyanovinyl)benzoic acid is 36938-02-0.
What is the molecular formula of 2-(2,2-Dicyanovinyl)benzoic acid?
The molecular formula of 2-(2,2-Dicyanovinyl)benzoic acid is C11H6N2O2.
What is the molecular weight of 2-(2,2-Dicyanovinyl)benzoic acid?
The molecular weight of 2-(2,2-Dicyanovinyl)benzoic acid is 198.04 g/mol.
Where can I buy 2-(2,2-Dicyanovinyl)benzoic acid?
You can request a quote for 2-(2,2-Dicyanovinyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dicyanovinyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dicyanovinyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.