Basic information
- CAS
51175-57-6- Standard SMILES
COc1cccc(C(=O)CS(C)=O)c1O- InChIKey
UNZVFRKPMDTASF-UHFFFAOYSA-N- Molecular formula
- C10H12O4S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.04563003
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-3-methoxyphenyl)-2-(methanesulfinyl)ethan-1-one
- IUPAC
- 1-(2-hydroxy-3-methoxyphenyl)-2-methylsulfinylethanone
Names & synonyms
51175-57-6DTXSID604981661-(2-Hydroxy-3-methoxyphenyl)-2-(methanesulfinyl)ethan-1-oneRefChem:223509DTXCID30448976SCHEMBL11699753UNZVFRKPMDTASF-UHFFFAOYSA-N2'-hydroxy-3'-methoxy-2-(methylsulfinyl)acetophenone1-(2-hydroxy-3-methoxyphenyl)-2-(methylsulfinyl)ethanone
Database identifiers
- CAS
51175-57-6- PubChem CID
- 12435005
- DTXSID
DTXSID60498166
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
3 records
Compound notes
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