Propanoic acid, 3,3,3-trifluoro-, methyl ester


Chemical Name: Propanoic acid, 3,3,3-trifluoro-, methyl ester
CAS Number: 18830-44-9
Product Number: AG002GTL(AGN-PC-0KL1ML)
Synonyms:
MDL No:
Molecular Formula: C4H5F3O2
Molecular Weight: 142.0765

Identification/Properties


Computed Properties
Molecular Weight:
142.077g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
142.024g/mol
Monoisotopic Mass:
142.024g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
107
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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