Basic information
- CAS
75803-24-6- Standard SMILES
CCC(Cc1ccccc1)OS(C)(=O)=O- InChIKey
VUVAYDCULOJQPR-UHFFFAOYSA-N- Molecular formula
- C11H16O3S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.08201537
Names & identifiers
- Preferred name
- 1-Phenylbutan-2-yl methanesulfonate
- IUPAC
- 1-phenylbutan-2-yl methanesulfonate
- English name
- 1-PHENYL-2-BUTYLMETHANESULPHONATE
- Molecular weight
- 0
Names & synonyms
75803-24-61-phenylbutan-2-yl methanesulfonate1-Phenyl-2-butylmethanesulphonate1-Phenyl-2-butyl methanesulfonatealpha-Ethylbenzeneethanol methanesulfonateBenzeneethanol, alpha-ethyl-, methanesulfonateSCHEMBL10474162DTXSID10997199
Database identifiers
- CAS
75803-24-6- PubChem CID
- 135649
- DTXSID
DTXSID10997199- Nikkaji
- J549.613F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…