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15725-53-8 | Benzoic acid, 4-(2,2-dicyanoethenyl)-
CAS No: 15725-53-8 Catalog No: AG001PBQ MDL No:
Product Description
Catalog Number:
AG001PBQ
Chemical Name:
Benzoic acid, 4-(2,2-dicyanoethenyl)-
CAS Number:
15725-53-8
Molecular Formula:
C11H6N2O2
Molecular Weight:
198.1775
IUPAC Name:
4-(2,2-dicyanoethenyl)benzoic acid
InChI:
InChI=1S/C11H6N2O2/c12-6-9(7-13)5-8-1-3-10(4-2-8)11(14)15/h1-5H,(H,14,15)
InChI Key:
KWXWJXVSQZFADE-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)C(=O)O)C#N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.181g/mol
Monoisotopic Mass:
198.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Tyrphostins I: synthesis and biological activity of protein tyrosine kinase inhibitors. | Journal of medicinal chemistry 19891001 |
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