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828923-06-4 | 1H-Pyrrole-2-carbonitrile, 1-methyl-5-(oxophenylacetyl)-
CAS No: 828923-06-4 Catalog No: AG004VTU MDL No:
Product Description
Catalog Number:
AG004VTU
Chemical Name:
1H-Pyrrole-2-carbonitrile, 1-methyl-5-(oxophenylacetyl)-
CAS Number:
828923-06-4
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
1-methyl-5-(2-oxo-2-phenylacetyl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C14H10N2O2/c1-16-11(9-15)7-8-12(16)14(18)13(17)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
YFOZYQCBESRZEX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1C)C(=O)C(=O)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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