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Home > Fluorides > 158072-57-2
158072-57-2 | 3-Penten-2-one, 1,1,1-trifluoro-4-hydroxy-, (3Z)-
CAS No: 158072-57-2 Catalog No: AG001PYT MDL No:
Product Description
Catalog Number:
AG001PYT
Chemical Name:
3-Penten-2-one, 1,1,1-trifluoro-4-hydroxy-, (3Z)-
CAS Number:
158072-57-2
Molecular Formula:
C5H5F3O2
Molecular Weight:
154.0872
IUPAC Name:
5,5,5-trifluoro-4-hydroxypent-3-en-2-one
InChI:
InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2,10H,1H3
InChI Key:
HZWABPCDJWBJSC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)/C=C(\O)/C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.088g/mol
Monoisotopic Mass:
154.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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