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Home > Indoles and Oxindole > 1440519-98-1
1440519-98-1 | 3,3-dimethyl-1-oxo-2H-isoindole-5-carbonitrile
CAS No: 1440519-98-1 Catalog No: AG01CAFI MDL No:MFCD23703554
Product Description
Catalog Number:
AG01CAFI
Chemical Name:
3,3-dimethyl-1-oxo-2H-isoindole-5-carbonitrile
CAS Number:
1440519-98-1
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD23703554
IUPAC Name:
3,3-dimethyl-1-oxo-2H-isoindole-5-carbonitrile
InChI:
InChI=1S/C11H10N2O/c1-11(2)9-5-7(6-12)3-4-8(9)10(14)13-11/h3-5H,1-2H3,(H,13,14)
InChI Key:
ODITXVOCXCXIOY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(C)(C)NC2=O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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