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Home > Fluorides > 159386-29-5
159386-29-5 | Cyclohexanol, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(3,4,5-trifluorophenyl)-
CAS No: 159386-29-5 Catalog No: AG001QN7 MDL No:
Product Description
Catalog Number:
AG001QN7
Chemical Name:
Cyclohexanol, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(3,4,5-trifluorophenyl)-
CAS Number:
159386-29-5
Molecular Formula:
C20H25F3O3
Molecular Weight:
370.4059
IUPAC Name:
4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3,4,5-trifluorophenyl)cyclohexan-1-ol
InChI:
InChI=1S/C20H25F3O3/c21-16-11-15(12-17(22)18(16)23)19(24)5-1-13(2-6-19)14-3-7-20(8-4-14)25-9-10-26-20/h11-14,24H,1-10H2
InChI Key:
ZJAQTXFEFGKDKY-UHFFFAOYSA-N
SMILES:
OC1(CCC(CC1)C1CCC2(CC1)OCCO2)c1cc(F)c(c(c1)F)F
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.412g/mol
Monoisotopic Mass:
370.176g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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