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Home > Fluorides > 102145-82-4
102145-82-4 | 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-
CAS No: 102145-82-4 Catalog No: AG0006QH MDL No:MFCD00173110
Product Description
Catalog Number:
AG0006QH
Chemical Name:
3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-
CAS Number:
102145-82-4
Molecular Formula:
C6H7F3O2
Molecular Weight:
168.1138
MDL Number:
MFCD00173110
IUPAC Name:
(E)-1,1,1-trifluoro-4-methoxypent-3-en-2-one
InChI:
InChI=1S/C6H7F3O2/c1-4(11-2)3-5(10)6(7,8)9/h3H,1-2H3/b4-3+
InChI Key:
XJNIYNVIHHABIV-ONEGZZNKSA-N
SMILES:
COC(=CC(=O)C(F)(F)F)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
168.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.115g/mol
Monoisotopic Mass:
168.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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