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88091-31-0 | 4-Piperidinone, 2,2-dimethyl-6-(3,4,5-trimethoxyphenyl)-, hydrochloride
CAS No: 88091-31-0 Catalog No: AG004EJZ MDL No:
Product Description
Catalog Number:
AG004EJZ
Chemical Name:
4-Piperidinone, 2,2-dimethyl-6-(3,4,5-trimethoxyphenyl)-, hydrochloride
CAS Number:
88091-31-0
Molecular Formula:
C16H24ClNO4
Molecular Weight:
329.8191
IUPAC Name:
2,2-dimethyl-6-(3,4,5-trimethoxyphenyl)piperidin-4-one;hydrochloride
InChI:
InChI=1S/C16H23NO4.ClH/c1-16(2)9-11(18)8-12(17-16)10-6-13(19-3)15(21-5)14(7-10)20-4;/h6-7,12,17H,8-9H2,1-5H3;1H
InChI Key:
HTUQQFXSVQVYNO-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1CC(=O)CC(N1)(C)C.Cl
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.139g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.821g/mol
Monoisotopic Mass:
329.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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