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88021-94-7 | 2-Hexenoic acid, 4,4,5,5,6,6,6-heptafluoro-2-methyl-, methyl ester, (E)-
CAS No: 88021-94-7 Catalog No: AG004JM1 MDL No:
Product Description
Catalog Number:
AG004JM1
Chemical Name:
2-Hexenoic acid, 4,4,5,5,6,6,6-heptafluoro-2-methyl-, methyl ester, (E)-
CAS Number:
88021-94-7
Molecular Formula:
C8H7F7O2
Molecular Weight:
268.1288
IUPAC Name:
methyl 4,4,5,5,6,6,6-heptafluoro-2-methylhex-2-enoate
InChI:
InChI=1S/C8H7F7O2/c1-4(5(16)17-2)3-6(9,10)7(11,12)8(13,14)15/h3H,1-2H3
InChI Key:
LRMSPWCOOHABFD-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/C(C(C(F)(F)F)(F)F)(F)F)/C
Properties
Complexity:
329
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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