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101640-70-4 | 2H-Pyran-4-carboxylic acid, 2-oxo-6-(trifluoromethyl)-, methyl ester
CAS No: 101640-70-4 Catalog No: AG00050L MDL No:
Product Description
Catalog Number:
AG00050L
Chemical Name:
2H-Pyran-4-carboxylic acid, 2-oxo-6-(trifluoromethyl)-, methyl ester
CAS Number:
101640-70-4
Molecular Formula:
C8H5F3O4
Molecular Weight:
222.1181
IUPAC Name:
methyl 2-oxo-6-(trifluoromethyl)pyran-4-carboxylate
InChI:
InChI=1S/C8H5F3O4/c1-14-7(13)4-2-5(8(9,10)11)15-6(12)3-4/h2-3H,1H3
InChI Key:
ADUKTRKDRHHBDB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)oc(c1)C(F)(F)F
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.119g/mol
Monoisotopic Mass:
222.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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