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Home Deuterated Building Blocks 1016741-90-4
1016741-90-4,MFCD09930536
Catalog No.:AA00053I
1016741-90-4 | 1-(3-Methoxybenzoyl)piperidin-4-one
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Technical Information
Catalog Number:
AA00053I
Chemical Name:
1-(3-Methoxybenzoyl)piperidin-4-one
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
Computed 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  

Synonyms
 
1-(3-methoxybenzoyl)piperidin-4-one 
1016741-90-4 
CS-0035748 
1-(3-METHOXY-BENZOYL)-PIPERIDIN-4-ONE 
C13H15NO3 
SCHEMBL16357967 
KS-00001B2L 
9442AH 
MFCD09930536 
ZINC19430016 
AKOS000170645 
4-Piperidinone, 1-(3-methoxybenzoyl)- 
AJ-73468 
Literature
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