Home Other Building Blocks 4H-Pyran-4-one, 2-methyl-6-(trifluoromethyl)-

4H-Pyran-4-one, 2-methyl-6-(trifluoromethyl)-

CAS No.:
204516-30-3
Catalog Number:
AG0029JT
Molecular Formula:
C7H5F3O2
Molecular Weight:
178.1086
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Product Description
Catalog Number:
AG0029JT
Chemical Name:
4H-Pyran-4-one, 2-methyl-6-(trifluoromethyl)-
CAS Number:
204516-30-3
Molecular Formula:
C7H5F3O2
Molecular Weight:
178.1086
MDL Number:
MFCD02704118
IUPAC Name:
2-methyl-6-(trifluoromethyl)pyran-4-one
InChI:
InChI=1S/C7H5F3O2/c1-4-2-5(11)3-6(12-4)7(8,9)10/h2-3H,1H3
InChI Key:
XMNCXRKURVVCBP-UHFFFAOYSA-N
SMILES:
FC(c1oc(C)cc(=O)c1)(F)F
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.11g/mol
Monoisotopic Mass:
178.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties