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Home > Indoles and Oxindole > 1092350-96-3
1092350-96-3 | 6-Hydroxy-1H-indole-2-carbonitrile
CAS No: 1092350-96-3 Catalog No: AG00HBCC MDL No:MFCD13191940
Product Description
Catalog Number:
AG00HBCC
Chemical Name:
6-Hydroxy-1H-indole-2-carbonitrile
CAS Number:
1092350-96-3
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD13191940
IUPAC Name:
6-hydroxy-1H-indole-2-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-5-7-3-6-1-2-8(12)4-9(6)11-7/h1-4,11-12H
InChI Key:
KKXFSKMEYLTTAH-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]1)cc(cc2)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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