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14627-92-0 | Ethanone, 2-phenyl-1-(3-pyridinyl)-
CAS No: 14627-92-0 Catalog No: AG001DUC MDL No:MFCD00963967
Product Description
Catalog Number:
AG001DUC
Chemical Name:
Ethanone, 2-phenyl-1-(3-pyridinyl)-
CAS Number:
14627-92-0
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD00963967
IUPAC Name:
2-phenyl-1-pyridin-3-ylethanone
InChI:
InChI=1S/C13H11NO/c15-13(12-7-4-8-14-10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChI Key:
GVEQCFMNUYFHOE-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)Cc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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