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Home > Indoles and Oxindole > 113616-92-5
113616-92-5 | 3-Indolizinecarbonitrile, 7-benzoyl-
CAS No: 113616-92-5 Catalog No: AG00096G MDL No:
Product Description
Catalog Number:
AG00096G
Chemical Name:
3-Indolizinecarbonitrile, 7-benzoyl-
CAS Number:
113616-92-5
Molecular Formula:
C16H10N2O
Molecular Weight:
246.2634
IUPAC Name:
7-benzoylindolizine-3-carbonitrile
InChI:
InChI=1S/C16H10N2O/c17-11-15-7-6-14-10-13(8-9-18(14)15)16(19)12-4-2-1-3-5-12/h1-10H
InChI Key:
KIMMNYGETNSDLP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2n1ccc(c2)C(=O)c1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.269g/mol
Monoisotopic Mass:
246.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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