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10075-05-5 | 3-Penten-2-one, 5,5,5-trifluoro-4-methyl-
CAS No: 10075-05-5 Catalog No: AG0002SO MDL No:MFCD23382133
Product Description
Catalog Number:
AG0002SO
Chemical Name:
3-Penten-2-one, 5,5,5-trifluoro-4-methyl-
CAS Number:
10075-05-5
Molecular Formula:
C6H7F3O
Molecular Weight:
152.1144
MDL Number:
MFCD23382133
IUPAC Name:
5,5,5-trifluoro-4-methylpent-3-en-2-one
InChI:
InChI=1S/C6H7F3O/c1-4(3-5(2)10)6(7,8)9/h3H,1-2H3
InChI Key:
LQBGJMZJGMUJEZ-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)C)C(F)(F)F
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.116g/mol
Monoisotopic Mass:
152.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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