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164030-03-9 | 3-Buten-2-one, 1,1,1-trifluoro-4-(1-methylethoxy)-, (3E)-
CAS No: 164030-03-9 Catalog No: AG001ULE MDL No:
Product Description
Catalog Number:
AG001ULE
Chemical Name:
3-Buten-2-one, 1,1,1-trifluoro-4-(1-methylethoxy)-, (3E)-
CAS Number:
164030-03-9
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
IUPAC Name:
1,1,1-trifluoro-4-propan-2-yloxybut-3-en-2-one
InChI:
InChI=1S/C7H9F3O2/c1-5(2)12-4-3-6(11)7(8,9)10/h3-5H,1-2H3
InChI Key:
YYBLSOBZMUWKIR-UHFFFAOYSA-N
SMILES:
CC(O/C=C/C(=O)C(F)(F)F)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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