Phenol, 3-(ethylsulfonyl)-, 1-methanesulfonate
Basic information
- CAS
51936-82-4- Standard SMILES
CCS(=O)(=O)c1cccc(OS(C)(=O)=O)c1- InChIKey
XSWIKELVVWJCOT-UHFFFAOYSA-N- Molecular formula
- C9H12O5S2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.01261583
Names & identifiers
- Preferred name
- Phenol, 3-(ethylsulfonyl)-, 1-methanesulfonate
- IUPAC
- (3-ethylsulfonylphenyl) methanesulfonate
Names & synonyms
Phenol, 3-(ethylsulfonyl)-, 1-methanesulfonateSCHEMBL10741172DTXSID4012487363-(Ethanesulfonyl)phenyl methanesulfonate51936-82-4
Database identifiers
- CAS
51936-82-4- PubChem CID
- 14014387
- DTXSID
DTXSID401248736
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 412
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Compound notes
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