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88460-88-2 | 2-Piperidinone, 1-methyl-6-(2-oxo-2-phenylethyl)-
CAS No: 88460-88-2 Catalog No: AG004DKK MDL No:
Product Description
Catalog Number:
AG004DKK
Chemical Name:
2-Piperidinone, 1-methyl-6-(2-oxo-2-phenylethyl)-
CAS Number:
88460-88-2
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
1-methyl-6-phenacylpiperidin-2-one
InChI:
InChI=1S/C14H17NO2/c1-15-12(8-5-9-14(15)17)10-13(16)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChI Key:
DDWCJXGULYUCJC-UHFFFAOYSA-N
SMILES:
CN1C(CCCC1=O)CC(=O)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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