Basic information
- CAS
53760-95-5- Standard SMILES
Cc1cc(O)c(O)c(S(=O)(=O)c2ccccc2)c1- InChIKey
JZVZYNSTKQDCHA-UHFFFAOYSA-N- Molecular formula
- C13H12O4S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.04563003
Names & identifiers
- Preferred name
- 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol
- IUPAC
- 3-(benzenesulfonyl)-5-methylbenzene-1,2-diol
Names & synonyms
53760-95-53-(benzenesulfonyl)-5-methylbenzene-1,2-diolNSC226636DTXSID40310392NSC-226636
Database identifiers
- CAS
53760-95-5- PubChem CID
- 313175
- DTXSID
DTXSID40310392- Nikkaji
- J163.948J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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