2-(2,5-Dioxopyrrolidin-1-yl)ethyl 4-methylbenzenesulfonate
Basic information
- CAS
34316-50-2- Standard SMILES
Cc1ccc(S(=O)(=O)OCCN2C(=O)CCC2=O)cc1- InChIKey
GHVNZKHFRXPRKS-UHFFFAOYSA-N- Molecular formula
- C13H15NO5S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.06709375
Names & identifiers
- Preferred name
- 2-(2,5-Dioxopyrrolidin-1-yl)ethyl 4-methylbenzenesulfonate
- IUPAC
- 2-(2,5-dioxopyrrolidin-1-yl)ethyl 4-methylbenzenesulfonate
Names & synonyms
34316-50-22-(2,5-dioxopyrrolidin-1-yl)ethyl 4-methylbenzene-1-sulfonate2-(2,5-dioxopyrrolidin-1-yl)ethyl 4-methylbenzenesulfonateNSC132862SCHEMBL22497343DTXSID70299787NSC-132862EN300-37152958
Database identifiers
- CAS
34316-50-2- PubChem CID
- 280733
- DTXSID
DTXSID70299787
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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