Basic information
- CAS
92655-61-3- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2C3CCCC2C3)cc1- InChIKey
VUPWAWNWCBUMOG-UHFFFAOYSA-N- Molecular formula
- C15H20O3S
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.11331567
Names & identifiers
- Preferred name
- (Bicyclo[3.1.1]heptan-6-yl)methyl 4-methylbenzene-1-sulfonate
- IUPAC
- 6-bicyclo[3.1.1]heptanylmethyl 4-methylbenzenesulfonate
Names & synonyms
92655-61-3NSC249262DTXSID40330353(Bicyclo[3.1.1]heptan-6-yl)methyl 4-methylbenzene-1-sulfonateNSC-249262
Database identifiers
- CAS
92655-61-3- PubChem CID
- 429154
- DTXSID
DTXSID40330353
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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