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1016741-90-4 | 4-Piperidinone, 1-(3-methoxybenzoyl)-
CAS No: 1016741-90-4 Catalog No: AG00056A MDL No:MFCD09930536
Product Description
Catalog Number:
AG00056A
Chemical Name:
4-Piperidinone, 1-(3-methoxybenzoyl)-
CAS Number:
1016741-90-4
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD09930536
IUPAC Name:
1-(3-methoxybenzoyl)piperidin-4-one
InChI:
InChI=1S/C13H15NO3/c1-17-12-4-2-3-10(9-12)13(16)14-7-5-11(15)6-8-14/h2-4,9H,5-8H2,1H3
InChI Key:
SSRPCQATKQCALS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)N1CCC(=O)CC1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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