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Home > Other Heterocycles > 87338-21-4
87338-21-4 | 1,4-dioxaspiro[4.5]decane-2,3-diyldimethanediyl dimethanesulfonate
CAS No: 87338-21-4 Catalog No: AG004HO6 MDL No:
Product Description
Catalog Number:
AG004HO6
Chemical Name:
1,4-dioxaspiro[4.5]decane-2,3-diyldimethanediyl dimethanesulfonate
CAS Number:
87338-21-4
Molecular Formula:
C12H22O8S2
Molecular Weight:
358.4283
IUPAC Name:
[3-(methylsulfonyloxymethyl)-1,4-dioxaspiro[4.5]decan-2-yl]methyl methanesulfonate
InChI:
InChI=1S/C12H22O8S2/c1-21(13,14)17-8-10-11(9-18-22(2,15)16)20-12(19-10)6-4-3-5-7-12/h10-11H,3-9H2,1-2H3
InChI Key:
LUAYJSOIHOTXSI-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCC1OC2(OC1COS(=O)(=O)C)CCCCC2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.42g/mol
Monoisotopic Mass:
358.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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