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250718-99-1 | 4-Piperidinone, 1-(5-chloro-2,4-dimethoxyphenyl)-
CAS No: 250718-99-1 Catalog No: AG002QE0 MDL No:MFCD09947347
Product Description
Catalog Number:
AG002QE0
Chemical Name:
4-Piperidinone, 1-(5-chloro-2,4-dimethoxyphenyl)-
CAS Number:
250718-99-1
Molecular Formula:
C13H16ClNO3
Molecular Weight:
269.7240
MDL Number:
MFCD09947347
IUPAC Name:
1-(5-chloro-2,4-dimethoxyphenyl)piperidin-4-one
InChI:
InChI=1S/C13H16ClNO3/c1-17-12-8-13(18-2)11(7-10(12)14)15-5-3-9(16)4-6-15/h7-8H,3-6H2,1-2H3
InChI Key:
YBERZWFCQPHSOK-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1N1CCC(=O)CC1)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.725g/mol
Monoisotopic Mass:
269.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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