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Home > Indoles and Oxindole > 874303-93-2
874303-93-2 | 1H-Indole-6-carbonitrile, 3-hydroxy-
CAS No: 874303-93-2 Catalog No: AG00IEL4 MDL No:MFCD13177507
Product Description
Catalog Number:
AG00IEL4
Chemical Name:
1H-Indole-6-carbonitrile, 3-hydroxy-
CAS Number:
874303-93-2
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD13177507
IUPAC Name:
3-hydroxy-1H-indole-6-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-4-6-1-2-7-8(3-6)11-5-9(7)12/h1-3,5,11-12H
InChI Key:
NRUUVVQWZMWSAQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]cc2O
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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