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1017020-43-7 | 4-Piperidinone, 1-(2-methoxybenzoyl)-
CAS No: 1017020-43-7 Catalog No: AG00058S MDL No:MFCD09942762
Product Description
Catalog Number:
AG00058S
Chemical Name:
4-Piperidinone, 1-(2-methoxybenzoyl)-
CAS Number:
1017020-43-7
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD09942762
IUPAC Name:
1-(2-methoxybenzoyl)piperidin-4-one
InChI:
InChI=1S/C13H15NO3/c1-17-12-5-3-2-4-11(12)13(16)14-8-6-10(15)7-9-14/h2-5H,6-9H2,1H3
InChI Key:
QZYYBCGJGKYMGV-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=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:
-0.1
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