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Home > Fluorides > 126953-88-6
126953-88-6 | 2(3H)-Furanone, dihydro-3-hydroxy-5,5-dimethyl-3-(trifluoromethyl)-
CAS No: 126953-88-6 Catalog No: AG000WH6 MDL No:
Product Description
Catalog Number:
AG000WH6
Chemical Name:
2(3H)-Furanone, dihydro-3-hydroxy-5,5-dimethyl-3-(trifluoromethyl)-
CAS Number:
126953-88-6
Molecular Formula:
C7H9F3O3
Molecular Weight:
198.1398
IUPAC Name:
3-hydroxy-5,5-dimethyl-3-(trifluoromethyl)oxolan-2-one
InChI:
InChI=1S/C7H9F3O3/c1-5(2)3-6(12,4(11)13-5)7(8,9)10/h12H,3H2,1-2H3
InChI Key:
MLXTZSCAFBJBMG-UHFFFAOYSA-N
SMILES:
FC(C1(O)CC(OC1=O)(C)C)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.141g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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