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259545-11-4 | 3-Cyclohexene-1-carboxylic acid, 6-(3-pyridinyl)-, ethyl ester
CAS No: 259545-11-4 Catalog No: AG002R6U MDL No:MFCD00817023
Product Description
Catalog Number:
AG002R6U
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-(3-pyridinyl)-, ethyl ester
CAS Number:
259545-11-4
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD00817023
IUPAC Name:
ethyl 6-pyridin-3-ylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C14H17NO2/c1-2-17-14(16)13-8-4-3-7-12(13)11-6-5-9-15-10-11/h3-6,9-10,12-13H,2,7-8H2,1H3
InChI Key:
ATAHZGDGVWUBCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC=CCC1c1cccnc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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