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Home > Fluorides > 188939-93-7
188939-93-7 | 3-Heptanone, 7-ethoxy-1,1,1-trifluoro-2-hydroxy-, (2S)-
CAS No: 188939-93-7 Catalog No: AG002HKK MDL No:
Product Description
Catalog Number:
AG002HKK
Chemical Name:
3-Heptanone, 7-ethoxy-1,1,1-trifluoro-2-hydroxy-, (2S)-
CAS Number:
188939-93-7
Molecular Formula:
C9H15F3O3
Molecular Weight:
228.2088
IUPAC Name:
(2S)-7-ethoxy-1,1,1-trifluoro-2-hydroxyheptan-3-one
InChI:
InChI=1S/C9H15F3O3/c1-2-15-6-4-3-5-7(13)8(14)9(10,11)12/h8,14H,2-6H2,1H3/t8-/m0/s1
InChI Key:
NYKHXROIAQMWBM-QMMMGPOBSA-N
SMILES:
CCOCCCCC(=O)[C@@H](C(F)(F)F)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
228.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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