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Home > Fluorides > 295360-05-3
295360-05-3 | Hexanoic acid, 2,2-difluoro-5-oxo-, ethyl ester
CAS No: 295360-05-3 Catalog No: AG002YOB MDL No:
Product Description
Catalog Number:
AG002YOB
Chemical Name:
Hexanoic acid, 2,2-difluoro-5-oxo-, ethyl ester
CAS Number:
295360-05-3
Molecular Formula:
C8H12F2O3
Molecular Weight:
194.1759
IUPAC Name:
ethyl 2,2-difluoro-5-oxohexanoate
InChI:
InChI=1S/C8H12F2O3/c1-3-13-7(12)8(9,10)5-4-6(2)11/h3-5H2,1-2H3
InChI Key:
YFIYHDGAHONZRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCC(=O)C)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.178g/mol
Monoisotopic Mass:
194.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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