7-ethoxy-4-(trifluoromethyl)chromen-2-one


Chemical Name: 7-ethoxy-4-(trifluoromethyl)chromen-2-one
CAS Number: 115453-82-2
Product Number: AG000G0A(AGN-PC-0JMMAO)
Synonyms:
MDL No:
Molecular Formula: C12H9F3O3
Molecular Weight: 258.1933

Identification/Properties


Computed Properties
Molecular Weight:
258.196g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
258.05g/mol
Monoisotopic Mass:
258.05g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
362
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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