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88239-31-0 | Acetic acid, trifluoro-, 1-methyl-1-(4-methyl-3-oxocyclohexyl)ethyl ester
CAS No: 88239-31-0 Catalog No: AG004B1I MDL No:
Product Description
Catalog Number:
AG004B1I
Chemical Name:
Acetic acid, trifluoro-, 1-methyl-1-(4-methyl-3-oxocyclohexyl)ethyl ester
CAS Number:
88239-31-0
Molecular Formula:
C12H17F3O3
Molecular Weight:
266.2568
IUPAC Name:
2-(4-methyl-3-oxocyclohexyl)propan-2-yl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C12H17F3O3/c1-7-4-5-8(6-9(7)16)11(2,3)18-10(17)12(13,14)15/h7-8H,4-6H2,1-3H3
InChI Key:
QBKNBOYBOUVMHQ-UHFFFAOYSA-N
SMILES:
O=C1CC(CCC1C)C(OC(=O)C(F)(F)F)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.26g/mol
Monoisotopic Mass:
266.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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