Basic information
- Standard SMILES
CC(C)(C)c1cccc(OS(C)(=O)=O)c1- InChIKey
MRQSRAVLXYHTKY-UHFFFAOYSA-N- Molecular formula
- C11H16O3S
- Average molar mass
- 228.31 g/mol
Names & identifiers
- Preferred name
- 3-Tert-butylphenyl methanesulfonate
- IUPAC
- (3-tert-butylphenyl) methanesulfonate
Names & synonyms
3-tert-butylphenyl methanesulfonateSCHEMBL2980656MRQSRAVLXYHTKY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59464148
- Nikkaji
- J3.570.359D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
Related reactions
2 records
Compound notes
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