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89680-95-5 | 2-Piperidinone, 5-acetyl-1-[2-(2-hydroxy-3,4-dimethoxyphenyl)ethyl]-
CAS No: 89680-95-5 Catalog No: AG0043H6 MDL No:
Product Description
Catalog Number:
AG0043H6
Chemical Name:
2-Piperidinone, 5-acetyl-1-[2-(2-hydroxy-3,4-dimethoxyphenyl)ethyl]-
CAS Number:
89680-95-5
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
IUPAC Name:
5-acetyl-1-[2-(2-hydroxy-3,4-dimethoxyphenyl)ethyl]piperidin-2-one
InChI:
InChI=1S/C17H23NO5/c1-11(19)13-5-7-15(20)18(10-13)9-8-12-4-6-14(22-2)17(23-3)16(12)21/h4,6,13,21H,5,7-10H2,1-3H3
InChI Key:
LTMRFMOWQJRESW-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1O)CCN1CC(CCC1=O)C(=O)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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