| CAS Number | 147767-55-3 |
| Catalog Number | AG00HXL2(AGN-PC-0O3L5J) |
| Chemical Name | [(4',4'-ETHYLENEDIOXY)CYCLOHEXYL]METHYL METHANESULFONATE |
| IUPAC Name | 1,4-dioxaspiro[4.5]decan-8-ylmethyl methanesulfonate |
| InChI | InChI=1S/C10H18O5S/c1-16(11,12)15-8-9-2-4-10(5-3-9)13-6-7-14-10/h9H,2-8H2,1H3 |
| InChI Key | PDQMFNUVJGFAEQ-UHFFFAOYSA-N |
| MDL Number | MFCD16621693 |
| Molecular Formula | C10H18O5S |
| Molecular Weight | 250.3119 |
| SMILES | CS(=O)(=O)OCC1CCC2(CC1)OCCO2 |
| Synonyms | 147767-55-3,
[(4',4'-Ethylenedioxy)cyclohexyl]methyl methanesulfonate,
1,4-dioxaspiro[4.5]decan-8-ylmethyl methanesulfonate,
SCHEMBL1059024,
PDQMFNUVJGFAEQ-UHFFFAOYSA-N,
MFCD16621693,
ZINC98213414,
AS-44826,
(4',4'-Ethylenedioxy)cyclohexyl methyl methanesulfonate,
methanesulfonic acid 1,4-dioxa-spiro[4.5]dec-8-ylmethyl ester,
CID9992301,
8-(methylsulfonyloxymethyl)-1,4-dioxaspiro[4.5]decane,
1,4-Dioxaspiro[4.5]decane-8-methanol, 8-methanesulfonate,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.309g/mol |
| Monoisotopic Mass | 250.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number