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89516-27-8 | 1H-Pyrrole-3-carbonitrile, 2,5-dihydro-4-methyl-2-oxo-1-phenyl-
CAS No: 89516-27-8 Catalog No: AG00412V MDL No:
Product Description
Catalog Number:
AG00412V
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2,5-dihydro-4-methyl-2-oxo-1-phenyl-
CAS Number:
89516-27-8
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
3-methyl-5-oxo-1-phenyl-2H-pyrrole-4-carbonitrile
InChI:
InChI=1S/C12H10N2O/c1-9-8-14(12(15)11(9)7-13)10-5-3-2-4-6-10/h2-6H,8H2,1H3
InChI Key:
IGZASRVSZZMMOV-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)CN(C1=O)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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