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161894-21-9 | 4-Piperidinone, 1,3-dimethyl-2-phenyl-
CAS No: 161894-21-9 Catalog No: AG001VYM MDL No:MFCD00543850
Product Description
Catalog Number:
AG001VYM
Chemical Name:
4-Piperidinone, 1,3-dimethyl-2-phenyl-
CAS Number:
161894-21-9
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD00543850
IUPAC Name:
1,3-dimethyl-2-phenylpiperidin-4-one
InChI:
InChI=1S/C13H17NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChI Key:
STSXXDYXEZFGJE-UHFFFAOYSA-N
SMILES:
CN1CCC(=O)C(C1c1ccccc1)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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