2-Propenoic acid, 2-methyl-, trifluoroethyl ester


Chemical Name: 2-Propenoic acid, 2-methyl-, trifluoroethyl ester
CAS Number: 352-87-4
Product Number: AG00I6Z4(AGN-PC-0CHP8N)
Synonyms:
MDL No:
Molecular Formula: C6H7F3O2
Molecular Weight: 168.1138

Identification/Properties


Computed Properties
Molecular Weight:
168.115g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
168.04g/mol
Monoisotopic Mass:
168.04g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
171
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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