4-cyano-3-hydroxybenzoic acid


Chemical Name: 4-cyano-3-hydroxybenzoic acid
CAS Number: 220542-03-0
Product Number: AG00BHFH(AGN-00BH9X)
Synonyms:
MDL No:
Molecular Formula: C8H5NO3
Molecular Weight: 163.1302

Identification/Properties


Computed Properties
Molecular Weight:
163.132g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
163.027g/mol
Monoisotopic Mass:
163.027g/mol
Topological Polar Surface Area:
81.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
230
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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