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1016524-78-9 | 3-Pyridinecarboxylic acid, 2-(4-oxo-1-piperidinyl)-, ethyl ester
CAS No: 1016524-78-9 Catalog No: AG00052J MDL No:MFCD09930005
Product Description
Catalog Number:
AG00052J
Chemical Name:
3-Pyridinecarboxylic acid, 2-(4-oxo-1-piperidinyl)-, ethyl ester
CAS Number:
1016524-78-9
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD09930005
IUPAC Name:
ethyl 2-(4-oxopiperidin-1-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C13H16N2O3/c1-2-18-13(17)11-4-3-7-14-12(11)15-8-5-10(16)6-9-15/h3-4,7H,2,5-6,8-9H2,1H3
InChI Key:
OOSABENBRYYUSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccnc1N1CCC(=O)CC1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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