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Home > Fluorides > 1248081-37-9
1248081-37-9 | 1,4-Dioxaspiro[4.5]decan-8-ol, 8-(trifluoromethyl)-
CAS No: 1248081-37-9 Catalog No: AG000MRC MDL No:
Product Description
Catalog Number:
AG000MRC
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-ol, 8-(trifluoromethyl)-
CAS Number:
1248081-37-9
Molecular Formula:
C9H13F3O3
Molecular Weight:
226.1929
IUPAC Name:
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
InChI:
InChI=1S/C9H13F3O3/c10-9(11,12)7(13)1-3-8(4-2-7)14-5-6-15-8/h13H,1-6H2
InChI Key:
SQSSOKYNTBRSCM-UHFFFAOYSA-N
SMILES:
FC(C1(O)CCC2(CC1)OCCO2)(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.195g/mol
Monoisotopic Mass:
226.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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