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Home > Indoles and Oxindole > 81779-30-8
81779-30-8 | 1H-Indole-3-carbonitrile,4-hydroxy-
CAS No: 81779-30-8 Catalog No: AG0050MQ MDL No:
Product Description
Catalog Number:
AG0050MQ
Chemical Name:
1H-Indole-3-carbonitrile,4-hydroxy-
CAS Number:
81779-30-8
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
4-hydroxy-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-4-6-5-11-7-2-1-3-8(12)9(6)7/h1-3,5,11-12H
InChI Key:
BRIMCGYNLLEMOA-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1c(O)ccc2
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:
1.4
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