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1163141-57-8 | Benzoic acid, 3-cyano-5-hydroxy-
CAS No: 1163141-57-8 Catalog No: AG000C6H MDL No:MFCD16999148
Product Description
Catalog Number:
AG000C6H
Chemical Name:
Benzoic acid, 3-cyano-5-hydroxy-
CAS Number:
1163141-57-8
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD16999148
IUPAC Name:
3-cyano-5-hydroxybenzoic acid
InChI:
InChI=1S/C8H5NO3/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3,10H,(H,11,12)
InChI Key:
AIJZBNIPPCUFCO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(O)cc(c1)C(=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:
0.9
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