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89733-53-9 | 2(1H)-Pyridinone, 3,4-dihydro-5-(4-methoxyphenyl)-3,6-dimethyl-
CAS No: 89733-53-9 Catalog No: AG0041HC MDL No:
Product Description
Catalog Number:
AG0041HC
Chemical Name:
2(1H)-Pyridinone, 3,4-dihydro-5-(4-methoxyphenyl)-3,6-dimethyl-
CAS Number:
89733-53-9
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
5-(4-methoxyphenyl)-3,6-dimethyl-3,4-dihydro-1H-pyridin-2-one
InChI:
InChI=1S/C14H17NO2/c1-9-8-13(10(2)15-14(9)16)11-4-6-12(17-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,15,16)
InChI Key:
IHMHSIAZMZWAFZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=C(C)NC(=O)C(C1)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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