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Home > Fluorides > 1378522-73-6
1378522-73-6 | 3-Pentyn-2-one, 5,5,5-trifluoro-
CAS No: 1378522-73-6 Catalog No: AG0013XY MDL No:
Product Description
Catalog Number:
AG0013XY
Chemical Name:
3-Pentyn-2-one, 5,5,5-trifluoro-
CAS Number:
1378522-73-6
Molecular Formula:
C5H3F3O
Molecular Weight:
136.0719
IUPAC Name:
5,5,5-trifluoropent-3-yn-2-one
InChI:
InChI=1S/C5H3F3O/c1-4(9)2-3-5(6,7)8/h1H3
InChI Key:
YCPLIHZDEYRSKS-UHFFFAOYSA-N
SMILES:
CC(=O)C#CC(F)(F)F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.073g/mol
Monoisotopic Mass:
136.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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