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Home > Pyridines > 113812-31-0
113812-31-0 | 4(1H)-Pyridinone, 2,3-dihydro-1-(1-phenylcyclohexyl)-
CAS No: 113812-31-0 Catalog No: AG0009RB MDL No:
Product Description
Catalog Number:
AG0009RB
Chemical Name:
4(1H)-Pyridinone, 2,3-dihydro-1-(1-phenylcyclohexyl)-
CAS Number:
113812-31-0
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
IUPAC Name:
1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one
InChI:
InChI=1S/C17H21NO/c19-16-9-13-18(14-10-16)17(11-5-2-6-12-17)15-7-3-1-4-8-15/h1,3-4,7-9,13H,2,5-6,10-12,14H2
InChI Key:
IRFHWACLBZROGV-UHFFFAOYSA-N
SMILES:
O=C1CCN(C=C1)C1(CCCCC1)c1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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