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1245649-70-0 | 3-Cyclohexene-1-carboxylic acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS No: 1245649-70-0 Catalog No: AG000MD0 MDL No:MFCD13190778
Product Description
Catalog Number:
AG000MD0
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS Number:
1245649-70-0
Molecular Formula:
C9H11F3O5S
Molecular Weight:
288.2408
MDL Number:
MFCD13190778
IUPAC Name:
methyl 4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C9H11F3O5S/c1-16-8(13)6-2-4-7(5-3-6)17-18(14,15)9(10,11)12/h4,6H,2-3,5H2,1H3
InChI Key:
OWGASBOFFHCLOP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(=CC1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.237g/mol
Monoisotopic Mass:
288.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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