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Home > Indoles and Oxindole > 1146290-35-8
1146290-35-8 | 2-hydroxy-1H-indole-3-carbonitrile
CAS No: 1146290-35-8 Catalog No: AG019V28 MDL No:MFCD12924193
Product Description
Catalog Number:
AG019V28
Chemical Name:
2-hydroxy-1H-indole-3-carbonitrile
CAS Number:
1146290-35-8
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD12924193
IUPAC Name:
2-hydroxy-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-5-7-6-3-1-2-4-8(6)11-9(7)12/h1-4,11-12H
InChI Key:
ZCIPJYDSOBAXDS-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)[nH]c2c1cccc2
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:
2.3
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