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Home > Other Heterocycles > 503551-90-4
503551-90-4 | 1-oxaspiro[5.5]undecan-4-yl methanesulfonate
CAS No: 503551-90-4 Catalog No: AG019YTD MDL No:MFCD22196527
Product Description
Catalog Number:
AG019YTD
Chemical Name:
1-oxaspiro[5.5]undecan-4-yl methanesulfonate
CAS Number:
503551-90-4
Molecular Formula:
C11H20O4S
Molecular Weight:
248.3391
MDL Number:
MFCD22196527
IUPAC Name:
1-oxaspiro[5.5]undecan-4-yl methanesulfonate
InChI:
InChI=1S/C11H20O4S/c1-16(12,13)15-10-5-8-14-11(9-10)6-3-2-4-7-11/h10H,2-9H2,1H3
InChI Key:
CEOZACCFDCWEQN-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OC1CCOC2(C1)CCCCC2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.337g/mol
Monoisotopic Mass:
248.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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