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Home > Indoles and Oxindole > 129221-89-2
129221-89-2 | 7-CYANO-2,3-DIHYDRO-1H-ISOINDOLE-1-ONE
CAS No: 129221-89-2 Catalog No: AG000YZ3 MDL No:MFCD09701294
Product Description
Catalog Number:
AG000YZ3
Chemical Name:
7-CYANO-2,3-DIHYDRO-1H-ISOINDOLE-1-ONE
CAS Number:
129221-89-2
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD09701294
IUPAC Name:
3-oxo-1,2-dihydroisoindole-4-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-4-6-2-1-3-7-5-11-9(12)8(6)7/h1-3H,5H2,(H,11,12)
InChI Key:
KLMSIZMELRTBKZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1C(=O)NC2
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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