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77949-43-0 | Acetic acid, trifluoro-, 3-methyl-2-butenyl ester
CAS No: 77949-43-0 Catalog No: AG0055JZ MDL No:
Product Description
Catalog Number:
AG0055JZ
Chemical Name:
Acetic acid, trifluoro-, 3-methyl-2-butenyl ester
CAS Number:
77949-43-0
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
IUPAC Name:
3-methylbut-2-enyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C7H9F3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h3H,4H2,1-2H3
InChI Key:
FSPSFOXDJIBXAF-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)OCC=C(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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