1,2-Benzenediol, 3,5-bis(methylsulfonyl)-
Basic information
- CAS
125629-19-8- Standard SMILES
CS(=O)(=O)c1cc(O)c(O)c(S(C)(=O)=O)c1- InChIKey
MCRNEKQTLQYVFD-UHFFFAOYSA-N- Molecular formula
- C8H10O6S2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 265.99188038
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 3,5-bis(methylsulfonyl)-
- IUPAC
- 3,5-bis(methylsulfonyl)benzene-1,2-diol
Names & synonyms
1,2-Benzenediol, 3,5-bis(methylsulfonyl)-125629-19-83,5-Bis(methylsulfonyl)-1,2-benzenediolDTXSID30154823RefChem:215494DTXCID40773143,5-Di(methanesulfonyl)benzene-1,2-diol
Database identifiers
- CAS
125629-19-8- PubChem CID
- 3079412
- DTXSID
DTXSID30154823
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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