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Home > Fluorides > 114429-85-5
114429-85-5 | 2-Propynoic acid, 2,2,2-trifluoroethyl ester
CAS No: 114429-85-5 Catalog No: AG000BAX MDL No:
Product Description
Catalog Number:
AG000BAX
Chemical Name:
2-Propynoic acid, 2,2,2-trifluoroethyl ester
CAS Number:
114429-85-5
Molecular Formula:
C5H3F3O2
Molecular Weight:
152.0713
IUPAC Name:
2,2,2-trifluoroethyl prop-2-ynoate
InChI:
InChI=1S/C5H3F3O2/c1-2-4(9)10-3-5(6,7)8/h1H,3H2
InChI Key:
VMGZMHJHJCJPBA-UHFFFAOYSA-N
SMILES:
C#CC(=O)OCC(F)(F)F
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.072g/mol
Monoisotopic Mass:
152.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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