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4691-71-8 | 4-Cyano-2-hydroxybenzoic acid
CAS No: 4691-71-8 Catalog No: AG0039QR MDL No:MFCD16999168
Product Description
Catalog Number:
AG0039QR
Chemical Name:
4-Cyano-2-hydroxybenzoic acid
CAS Number:
4691-71-8
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD16999168
IUPAC Name:
4-cyano-2-hydroxybenzoic acid
InChI:
InChI=1S/C8H5NO3/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,10H,(H,11,12)
InChI Key:
RESKSOIIHUXLOJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)O)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:
1.7
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