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1255098-68-0 | Cyclohexanecarboxylic acid, 4-oxo-1-(4-pyridinyl)-, ethyl ester
CAS No: 1255098-68-0 Catalog No: AG000NRW MDL No:
Product Description
Catalog Number:
AG000NRW
Chemical Name:
Cyclohexanecarboxylic acid, 4-oxo-1-(4-pyridinyl)-, ethyl ester
CAS Number:
1255098-68-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
ethyl 4-oxo-1-pyridin-4-ylcyclohexane-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-2-18-13(17)14(7-3-12(16)4-8-14)11-5-9-15-10-6-11/h5-6,9-10H,2-4,7-8H2,1H3
InChI Key:
SOQPDLKNYMTIBJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC(=O)CC1)c1ccncc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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