Basic information
- CAS
79253-78-4- Standard SMILES
COC(=O)C1(C)OS(=O)(=O)c2ccccc21- InChIKey
QMFREQKSBRDOOS-UHFFFAOYSA-N- Molecular formula
- C10H10O5S
- Average molar mass
- 242.25 g/mol
- Monoisotopic mass
- 242.02489459
Names & identifiers
- Preferred name
- Methyl 3-methyl-3H-2,1-benzoxathiole-3-carboxylate 1,1-dioxide
- IUPAC
- methyl 3-methyl-1,1-dioxo-2,1λ6-benzoxathiole-3-carboxylate
Names & synonyms
79253-78-4Methyl 3-methyl-3H-2,1-benzoxathiole-3-carboxylate 1,1-dioxideNSC327393NSC 327393NSC-327393methyl 3-methyl-1,1-dioxo-2,1$l^{6}-benzoxathiole-3-carboxylate
Database identifiers
- CAS
79253-78-4- PubChem CID
- 332009
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…