1,2-Cyclohexanediol, dimethanesulfonate
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Basic information
- CAS
38932-04-6- Standard SMILES
CS(=O)(=O)OC1CCCCC1OS(C)(=O)=O- InChIKey
CYJMCJOQSFGEJB-UHFFFAOYSA-N- Molecular formula
- C8H16O6S2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.03883057
Names & identifiers
- Preferred name
- 1,2-Cyclohexanediol, dimethanesulfonate
- IUPAC
- (2-methylsulfonyloxycyclohexyl) methanesulfonate
- English name
- 1,2-bis(methylsulfonyloxy)cyclohexane
- Molecular formula
- C8H16O6S2
- Molecular weight
- 272.34
Names & synonyms
Cyclohexane-cis-1,2-dimethanesulfonate39967-15-21,2-Cyclohexanediol, dimethanesulfonate38932-04-6NSC148818NSC 245875AI3-612351,2-Cyclohexanediol, dimethanesulfonate, cis-1, dimethanesulfonate, cis-SCHEMBL14778193DTXSID90959770CYJMCJOQSFGEJB-UHFFFAOYSA-N
Show more names
1,2-bis(methylsulfonyloxy)cyclohexane1,2-Cyclohexanediol, dimethanesulfonate, (1R,2S)-rel- (9CI)
NSC245875NSC-148818NSC-245875Cyclohexane-1,2-diyl dimethanesulfonate2-[(Methylsulfonyl)oxy]cyclohexyl methanesulfonate #
Database identifiers
- CAS
38932-04-6、39967-15-2- PubChem CID
- 99874
- DTXSID
DTXSID90959770- Nikkaji
- J140.397D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 484.94 · 484.940±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.391 · 1.391±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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