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Basic information
- CAS
886053-12-9- Standard SMILES
O=C(OCOC(=O)c1ccccc1)ON1C(=O)CCC1=O- InChIKey
AVJVDICYLYUKJN-UHFFFAOYSA-N- Molecular formula
- C13H11NO7
- Average molar mass
- 293.23 g/mol
- Monoisotopic mass
- 293.05355169
Names & identifiers
- Preferred name
- ({[(2,5-Dioxopyrrolidin-1-yl)oxy]carbonyl}oxy)methyl benzoate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl benzoate
Names & synonyms
886053-12-9({[(2,5-Dioxopyrrolidin-1-yl)oxy]carbonyl}oxy)methyl benzoateSCHEMBL915835DTXSID60828267AVJVDICYLYUKJN-UHFFFAOYSA-N1-[(2,5-dioxopyrrolidinyl)oxycarbonyloxy]methyl benzoate
Database identifiers
- CAS
886053-12-9- PubChem CID
- 71408302
- DTXSID
DTXSID60828267
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Related reactions
4 records
Compound notes
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