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Home > Fluorides > 164021-30-1
164021-30-1 | 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-(trifluoromethyl)-
CAS No: 164021-30-1 Catalog No: AG001ULM MDL No:MFCD08447331
Product Description
Catalog Number:
AG001ULM
Chemical Name:
4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-(trifluoromethyl)-
CAS Number:
164021-30-1
Molecular Formula:
C7H7F3O3
Molecular Weight:
196.1239
MDL Number:
MFCD08447331
IUPAC Name:
2,2-dimethyl-6-(trifluoromethyl)-1,3-dioxin-4-one
InChI:
InChI=1S/C7H7F3O3/c1-6(2)12-4(7(8,9)10)3-5(11)13-6/h3H,1-2H3
InChI Key:
OHSVUFZAWAXUCT-UHFFFAOYSA-N
SMILES:
FC(C1=CC(=O)OC(O1)(C)C)(F)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.125g/mol
Monoisotopic Mass:
196.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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