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Home > Fluorides > 102129-09-9
102129-09-9 | 4H-Pyran-4-one, 2,3-dihydro-6-methyl-2,2-bis(trifluoromethyl)-
CAS No: 102129-09-9 Catalog No: AG0006OW MDL No:
Product Description
Catalog Number:
AG0006OW
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-6-methyl-2,2-bis(trifluoromethyl)-
CAS Number:
102129-09-9
Molecular Formula:
C8H6F6O2
Molecular Weight:
248.1225
IUPAC Name:
6-methyl-2,2-bis(trifluoromethyl)-3H-pyran-4-one
InChI:
InChI=1S/C8H6F6O2/c1-4-2-5(15)3-6(16-4,7(9,10)11)8(12,13)14/h2H,3H2,1H3
InChI Key:
OWKJWVUQEZJKIN-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)OC(C1)(C(F)(F)F)C(F)(F)F
NSC Number:
160018
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.124g/mol
Monoisotopic Mass:
248.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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