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214759-51-0 | 2-Oxoindoline-4-carbonitrile
CAS No: 214759-51-0 Catalog No: AG003HTZ MDL No:MFCD20480663
Product Description
Catalog Number:
AG003HTZ
Chemical Name:
2-Oxoindoline-4-carbonitrile
CAS Number:
214759-51-0
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD20480663
IUPAC Name:
2-oxo-1,3-dihydroindole-4-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-5-6-2-1-3-8-7(6)4-9(12)11-8/h1-3H,4H2,(H,11,12)
InChI Key:
YPDAXLREHSXDNR-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1CC(=O)N2
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:
0.5
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