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88021-90-3

88021-90-3 | Hexanoic acid, 4,4,5,5,6,6,6-heptafluoro-2-methylene-, methyl ester

CAS No: 88021-90-3 Catalog No: AG004NOB MDL No:

Product Description

Catalog Number:
AG004NOB
Chemical Name:
Hexanoic acid, 4,4,5,5,6,6,6-heptafluoro-2-methylene-, methyl ester
CAS Number:
88021-90-3
Molecular Formula:
C8H7F7O2
Molecular Weight:
268.1288
IUPAC Name:
methyl 4,4,5,5,6,6,6-heptafluoro-2-methylidenehexanoate
InChI:
InChI=1S/C8H7F7O2/c1-4(5(16)17-2)3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3
InChI Key:
KMRYZJJLWTVVHQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)CC(C(C(F)(F)F)(F)F)(F)F

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.033g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.131g/mol
Monoisotopic Mass:
268.033g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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