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89176-06-7

89176-06-7 | 4,6-Octadien-3-one, 1,1,1,2,2-pentafluoro-, (E,E)-

CAS No: 89176-06-7 Catalog No: AG003WLB MDL No:

Product Description

Catalog Number:
AG003WLB
Chemical Name:
4,6-Octadien-3-one, 1,1,1,2,2-pentafluoro-, (E,E)-
CAS Number:
89176-06-7
Molecular Formula:
C8H7F5O
Molecular Weight:
214.1326
IUPAC Name:
1,1,1,2,2-pentafluoroocta-4,6-dien-3-one
InChI:
InChI=1S/C8H7F5O/c1-2-3-4-5-6(14)7(9,10)8(11,12)13/h2-5H,1H3
InChI Key:
FOJAHLXHGAWRON-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)C(C(F)(F)F)(F)F

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.135g/mol
Monoisotopic Mass:
214.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
3.2  

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