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20562-79-2 | 3-Butenoic acid, 2,2,3,4,4-pentafluoro-, methyl ester
CAS No: 20562-79-2 Catalog No: AG002A8L MDL No:
Product Description
Catalog Number:
AG002A8L
Chemical Name:
3-Butenoic acid, 2,2,3,4,4-pentafluoro-, methyl ester
CAS Number:
20562-79-2
Molecular Formula:
C5H3F5O2
Molecular Weight:
190.0681
IUPAC Name:
methyl 2,2,3,4,4-pentafluorobut-3-enoate
InChI:
InChI=1S/C5H3F5O2/c1-12-4(11)5(9,10)2(6)3(7)8/h1H3
InChI Key:
AZKKPFXZCSUOGD-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=C(F)F)F)(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.069g/mol
Monoisotopic Mass:
190.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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