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Home > Fluorides > 144194-00-3
144194-00-3 | 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-
CAS No: 144194-00-3 Catalog No: AG001J34 MDL No:
Product Description
Catalog Number:
AG001J34
Chemical Name:
3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-
CAS Number:
144194-00-3
Molecular Formula:
C6H7F3O2
Molecular Weight:
168.1138
IUPAC Name:
3,4,4-trifluoro-2,2-dimethylbut-3-enoic acid
InChI:
InChI=1S/C6H7F3O2/c1-6(2,5(10)11)3(7)4(8)9/h1-2H3,(H,10,11)
InChI Key:
KAWXEHDKULHUAA-UHFFFAOYSA-N
SMILES:
FC(=C(C(C(=O)O)(C)C)F)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.115g/mol
Monoisotopic Mass:
168.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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