Home Carboxys 4,5-dimethyl-2-(trifluoromethyl)furan-3-carboxylic acid

4,5-dimethyl-2-(trifluoromethyl)furan-3-carboxylic acid

CAS No.:
23584-87-4
Catalog Number:
AG01DW9B
Molecular Formula:
C8H7F3O3
Molecular Weight:
208.1346
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Product Description
Catalog Number:
AG01DW9B
Chemical Name:
4,5-dimethyl-2-(trifluoromethyl)furan-3-carboxylic acid
CAS Number:
23584-87-4
Molecular Formula:
C8H7F3O3
Molecular Weight:
208.1346
MDL Number:
MFCD31615857
IUPAC Name:
4,5-dimethyl-2-(trifluoromethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C8H7F3O3/c1-3-4(2)14-6(8(9,10)11)5(3)7(12)13/h1-2H3,(H,12,13)
InChI Key:
DGGXCYSSPKHSIC-UHFFFAOYSA-N
SMILES:
Cc1oc(c(c1C)C(=O)O)C(F)(F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.136g/mol
Monoisotopic Mass:
208.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties