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Home > Indoles and Oxindole > 199327-63-4
199327-63-4 | 1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-
CAS No: 199327-63-4 Catalog No: AG002C2D MDL No:MFCD02179606
Product Description
Catalog Number:
AG002C2D
Chemical Name:
1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-
CAS Number:
199327-63-4
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD02179606
IUPAC Name:
2-oxo-1,3-dihydroindole-6-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-5-6-1-2-7-4-9(12)11-8(7)3-6/h1-3H,4H2,(H,11,12)
InChI Key:
NDVUETYYXRFYKO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)NC(=O)C2
Properties
Complexity:
253
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:
1
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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