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89733-54-0 | 2(1H)-Pyridinone, 3,4-dihydro-5-(4-hydroxyphenyl)-3,6-dimethyl-
CAS No: 89733-54-0 Catalog No: AG0041HB MDL No:
Product Description
Catalog Number:
AG0041HB
Chemical Name:
2(1H)-Pyridinone, 3,4-dihydro-5-(4-hydroxyphenyl)-3,6-dimethyl-
CAS Number:
89733-54-0
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
5-(4-hydroxyphenyl)-3,6-dimethyl-3,4-dihydro-1H-pyridin-2-one
InChI:
InChI=1S/C13H15NO2/c1-8-7-12(9(2)14-13(8)16)10-3-5-11(15)6-4-10/h3-6,8,15H,7H2,1-2H3,(H,14,16)
InChI Key:
UYSFVDNJWAXZJG-UHFFFAOYSA-N
SMILES:
CC1CC(=C(NC1=O)C)c1ccc(cc1)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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