Basic information
- CAS
98453-85-1- Standard SMILES
CC=CC=CC(=O)ON1C(=O)CCC1=O- InChIKey
RGGUBFBWXJWWPL-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 1-[(Hexa-2,4-dienoyl)oxy]pyrrolidine-2,5-dione
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) hexa-2,4-dienoate
Names & synonyms
98453-85-11-[(Hexa-2,4-dienoyl)oxy]pyrrolidine-2,5-dione(2,5-dioxopyrrolidin-1-yl) hexa-2,4-dienoateSCHEMBL10997383DTXSID307605292,5-Dioxopyrrolidin-1-yl hexa-2,4-dienoate
Database identifiers
- CAS
98453-85-1- PubChem CID
- 71332016
- DTXSID
DTXSID30760529
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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