4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one
Basic information
- CAS
62113-97-7- Standard SMILES
Cc1cc(=O)oc2c(OS(C)(=O)=O)c(OS(C)(=O)=O)ccc12- InChIKey
LNUOVDYXSVMVOE-UHFFFAOYSA-N- Molecular formula
- C12H12O8S2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 347.99735968
Names & identifiers
- Preferred name
- 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one
- IUPAC
- (4-methyl-8-methylsulfonyloxy-2-oxochromen-7-yl) methanesulfonate
Names & synonyms
NSC25082662113-97-7CHEMBL1372043NSC-250826NCIStruc1_001768NCIStruc2_001475DTXSID603121564-METHYL-7,8-BIS[(METHYLSULFONYL)OXY]-2H-1-BENZOPYRAN-2-ONEBDBM50237937CCG-37084NCGC00014607NCI250826
Show more names
NCGC00014607-02NCGC00097710-01NCI60_001999DS-0152774-Methyl-7,8-bis(methylsulfonyloxy)chromen-2-one4-Methyl-2-oxo-2H-1-benzopyran-7,8-diyl dimethanesulfonate4-methyl-7-((methylsulfonyl)oxy)-2-oxo-2H-chromen-8-yl methanesulfonate
Database identifiers
- CAS
62113-97-7- PubChem CID
- 317657
- DTXSID
DTXSID60312156- ChEMBL
CHEMBL1372043
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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