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122948-57-6 | 3-Cyclohexene-1-carboxylic acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS No: 122948-57-6 Catalog No: AG000JT4 MDL No:MFCD17169871
Product Description
Catalog Number:
AG000JT4
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS Number:
122948-57-6
Molecular Formula:
C10H13F3O5S
Molecular Weight:
302.2674
MDL Number:
MFCD17169871
IUPAC Name:
ethyl 4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C10H13F3O5S/c1-2-17-9(14)7-3-5-8(6-4-7)18-19(15,16)10(11,12)13/h5,7H,2-4,6H2,1H3
InChI Key:
FKPYEDFRKMRJBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=CC1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.264g/mol
Monoisotopic Mass:
302.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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