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122135-83-5 | 1-Cyclohexene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS No: 122135-83-5 Catalog No: AG0016U4 MDL No:
Product Description
Catalog Number:
AG0016U4
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS Number:
122135-83-5
Molecular Formula:
C10H13F3O5S
Molecular Weight:
302.2674
IUPAC Name:
ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
InChI:
InChI=1S/C10H13F3O5S/c1-2-17-9(14)7-5-3-4-6-8(7)18-19(15,16)10(11,12)13/h2-6H2,1H3
InChI Key:
VWIUHGUFSGOXDX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F
NSC Number:
698179
Properties
Complexity:
472
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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