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303752-07-0 | 2(1H)-Pyridinone, 5,6-dihydro-3-hydroxy-1-[(4-methoxyphenyl)methyl]-4-(1-oxopropyl)-
CAS No: 303752-07-0 Catalog No: AG002ZWF MDL No:
Product Description
Catalog Number:
AG002ZWF
Chemical Name:
2(1H)-Pyridinone, 5,6-dihydro-3-hydroxy-1-[(4-methoxyphenyl)methyl]-4-(1-oxopropyl)-
CAS Number:
303752-07-0
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
IUPAC Name:
5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-propanoyl-2,3-dihydropyridin-6-one
InChI:
InChI=1S/C16H19NO4/c1-3-14(18)13-8-9-17(16(20)15(13)19)10-11-4-6-12(21-2)7-5-11/h4-7,19H,3,8-10H2,1-2H3
InChI Key:
QNGASUQVLIOHOW-UHFFFAOYSA-N
SMILES:
CCC(=O)C1=C(O)C(=O)N(CC1)Cc1ccc(cc1)OC
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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