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1243459-67-7 | Benzoic acid, 2-cyano-6-hydroxy-
CAS No: 1243459-67-7 Catalog No: AG000LWH MDL No:
Product Description
Catalog Number:
AG000LWH
Chemical Name:
Benzoic acid, 2-cyano-6-hydroxy-
CAS Number:
1243459-67-7
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
IUPAC Name:
2-cyano-6-hydroxybenzoic acid
InChI:
InChI=1S/C8H5NO3/c9-4-5-2-1-3-6(10)7(5)8(11)12/h1-3,10H,(H,11,12)
InChI Key:
OCOIDGPIGZOSJU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C(=O)O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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