1,4-Dimethyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide
Basic information
- CAS
55039-39-9- Standard SMILES
CC1=C2C(=O)c3ccccc3C2=C(C)S(=O)(=O)O1- InChIKey
JRQQRWJXBFEGRH-UHFFFAOYSA-N- Molecular formula
- C13H10O4S
- Average molar mass
- 262.28 g/mol
- Monoisotopic mass
- 262.02997997
Names & identifiers
- Preferred name
- 1,4-Dimethyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide
- IUPAC
- 1,4-dimethyl-3,3-dioxoindeno[1,2-d]oxathiin-9-one
Names & synonyms
55039-39-9NSC166739NSC 1667391,4-Dimethyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide1,4-Dimethyl-9H-indeno[1,2-d][1,2]oxathiin-9-one 3,3-dioxideCHEMBL1996320DTXSID90203583NSC-166739NCI60_0013161,4-dimethyl-3,3-dioxo-indeno[1,2-d]oxathiin-9-one9H-Indeno[1,2]oxathiin-9-one, 1,4-dimethyl-, 3,3-dioxide{9H-Indeno[1,2-d][1,2]oxathiin-9-one,} 1,4-dimethyl-, 3,3-dioxide
Show more names
1,4-Dimethyl-3lambda~6~-indeno[1,2-d][1,2]oxathiine-3,3,9-trione
Database identifiers
- CAS
55039-39-9- PubChem CID
- 296536
- DTXSID
DTXSID90203583- ChEMBL
CHEMBL1996320
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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