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Home > Fluorides > 136384-96-8
136384-96-8 | 2-Butenoic acid, 3-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester, (2Z)-
CAS No: 136384-96-8 Catalog No: AG0011T8 MDL No:
Product Description
Catalog Number:
AG0011T8
Chemical Name:
2-Butenoic acid, 3-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester, (2Z)-
CAS Number:
136384-96-8
Molecular Formula:
C6H7F3O5S
Molecular Weight:
248.1770
IUPAC Name:
methyl 3-(trifluoromethylsulfonyloxy)but-2-enoate
InChI:
InChI=1S/C6H7F3O5S/c1-4(3-5(10)13-2)14-15(11,12)6(7,8)9/h3H,1-2H3
InChI Key:
RSNDRPHGOLGQLG-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(\OS(=O)(=O)C(F)(F)F)/C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.172g/mol
Monoisotopic Mass:
247.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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