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Home > Pyridines > 1187166-98-8
1187166-98-8 | 2-(3-Cyanobenzoyl)-4-methylpyridine
CAS No: 1187166-98-8 Catalog No: AG01FDRR MDL No:
Product Description
Catalog Number:
AG01FDRR
Chemical Name:
2-(3-Cyanobenzoyl)-4-methylpyridine
CAS Number:
1187166-98-8
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
3-(4-methylpyridine-2-carbonyl)benzonitrile
InChI:
InChI=1S/C14H10N2O/c1-10-5-6-16-13(7-10)14(17)12-4-2-3-11(8-12)9-15/h2-8H,1H3
InChI Key:
GVJSPIOUNLISNO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)c1nccc(c1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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