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84596-28-1 | 2(1H)-Pyridinone, 3,4-dihydro-6-methyl-5-phenyl-
CAS No: 84596-28-1 Catalog No: AG004QC8 MDL No:MFCD00456281
Product Description
Catalog Number:
AG004QC8
Chemical Name:
2(1H)-Pyridinone, 3,4-dihydro-6-methyl-5-phenyl-
CAS Number:
84596-28-1
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD00456281
IUPAC Name:
6-methyl-5-phenyl-3,4-dihydro-1H-pyridin-2-one
InChI:
InChI=1S/C12H13NO/c1-9-11(7-8-12(14)13-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChI Key:
OQXUWXVGJYBBLY-UHFFFAOYSA-N
SMILES:
CC1=C(CCC(=O)N1)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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