Basic information
- CAS
4403-40-1- Standard SMILES
O=C1CCC(=O)N1N1C(=O)c2ccccc2C1=O- InChIKey
ZXWQGVZXWDSHND-UHFFFAOYSA-N- Molecular formula
- C12H8N2O4
- Average molar mass
- 244.2 g/mol
- Monoisotopic mass
- 244.04840674
Overview
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Names & identifiers
- Preferred name
- 2-(2,5-Dioxopyrrolidin-1-yl)isoindole-1,3-dione
- IUPAC
- 2-(2,5-dioxopyrrolidin-1-yl)isoindole-1,3-dione
- English name
- 1H-Isoindole-1,3(2H)-dione, 2-(2,5-dioxo-1-pyrrolidinyl)-
- Molecular formula
- C12H8N2O4
- Molecular weight
- 244.2
Names & synonyms
4403-40-12-(2,5-dioxopyrrolidin-1-yl)isoindole-1,3-dione2-(2,5-DIOXO-1-PYRROLIDINYL)-1H-ISOINDOLE-1,3(2H)-DIONE2-(2,5-dioxopyrrolidin-1-yl)-1H-isoindole-1,3(2H)-dioneHMS1586P10Cambridge id 6779059SCHEMBL3992123DTXSID60359541ZXWQGVZXWDSHND-UHFFFAOYSA-NSTK080240AKOS000489344ST45036088
Show more names
1H-Isoindole-1,3(2H)-dione, 2-(2,5-dioxo-1-pyrrolidinyl)-
SR-010004937172-(2,5-dioxoazolidinyl)benzo[c]azoline-1,3-dioneSR-01000493717-1
Database identifiers
- CAS
4403-40-1- PubChem CID
- 969302
- DTXSID
DTXSID60359541
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Melting point
- 228 · 228-230 °C(Solv: benzene (71-43-2))
- Boiling point
- 428.7 · 428.7±28.0 °C(Predicted)
- Density
- 1.638 · 1.638±0.06 g/cm3(Predicted)
- pka
- -2.6 · -2.60±0.20(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
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Compound notes
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