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100109-00-0 | Methanesulfonic acid, 1,1,1-trifluoro-, 1-(1-methylethylidene)-2-butyn-1-yl ester
CAS No: 100109-00-0 Catalog No: AG0000ZJ MDL No:
Product Description
Catalog Number:
AG0000ZJ
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 1-(1-methylethylidene)-2-butyn-1-yl ester
CAS Number:
100109-00-0
Molecular Formula:
C8H9F3O3S
Molecular Weight:
242.2155
IUPAC Name:
2-methylhex-2-en-4-yn-3-yl trifluoromethanesulfonate
InChI:
InChI=1S/C8H9F3O3S/c1-4-5-7(6(2)3)14-15(12,13)8(9,10)11/h1-3H3
InChI Key:
NXCLTYUDPXPGJN-UHFFFAOYSA-N
SMILES:
CC#CC(=C(C)C)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.212g/mol
Monoisotopic Mass:
242.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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