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138851-30-6 | Benzoic acid, 5-(2,2-dicyanoethenyl)-2-hydroxy-
CAS No: 138851-30-6 Catalog No: AG0019Q2 MDL No:
Product Description
Catalog Number:
AG0019Q2
Chemical Name:
Benzoic acid, 5-(2,2-dicyanoethenyl)-2-hydroxy-
CAS Number:
138851-30-6
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
IUPAC Name:
5-(2,2-dicyanoethenyl)-2-hydroxybenzoic acid
InChI:
InChI=1S/C11H6N2O3/c12-5-8(6-13)3-7-1-2-10(14)9(4-7)11(15)16/h1-4,14H,(H,15,16)
InChI Key:
KOCPWQGKNIYOMJ-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(c(c1)C(=O)O)O)C#N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.18g/mol
Monoisotopic Mass:
214.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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