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74067-14-4 | Butanoic acid, 3,3,4,4,4-pentafluoro-2-oxo-, methyl ester
CAS No: 74067-14-4 Catalog No: AG005HMV MDL No:
Product Description
Catalog Number:
AG005HMV
Chemical Name:
Butanoic acid, 3,3,4,4,4-pentafluoro-2-oxo-, methyl ester
CAS Number:
74067-14-4
Molecular Formula:
C5H3F5O3
Molecular Weight:
206.0675
IUPAC Name:
methyl 3,3,4,4,4-pentafluoro-2-oxobutanoate
InChI:
InChI=1S/C5H3F5O3/c1-13-3(12)2(11)4(6,7)5(8,9)10/h1H3
InChI Key:
MCPJDQRRMSBSHB-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C(C(F)(F)F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.068g/mol
Monoisotopic Mass:
206g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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