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17515-74-1 | 3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-
CAS No: 17515-74-1 Catalog No: AG0020DC MDL No:MFCD00275563
Product Description
Catalog Number:
AG0020DC
Chemical Name:
3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-
CAS Number:
17515-74-1
Molecular Formula:
C7H5F3O3
Molecular Weight:
194.1080
MDL Number:
MFCD00275563
IUPAC Name:
5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)
InChI Key:
NURNFMNHTHXTDS-UHFFFAOYSA-N
SMILES:
Cc1cc(c(o1)C(F)(F)F)C(=O)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.109g/mol
Monoisotopic Mass:
194.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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