Basic information
- CAS
51938-01-3- Standard SMILES
O=C1NC(=O)C2=C1C=CCC2- InChIKey
AKYAMTDRHCBNQV-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767847
Names & identifiers
- Preferred name
- 4,5-Dihydro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 4,5-dihydroisoindole-1,3-dione
- English name
- phthalimidine
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
4,5-Dihydro-1H-isoindole-1,3(2H)-dioneSCHEMBL9187945AKYAMTDRHCBNQV-UHFFFAOYSA-Nphthalimidine1H-Isoindole-1,3(2H)-dione, 4,5-dihydro-
Database identifiers
- CAS
51938-01-3- PubChem CID
- 171091
- DTXSID
DTXSID10199898- Nikkaji
- J3.045.392A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 365.9 · 365.9±21.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.20(Predicted)
- FDA UNII
- 41 DB5814AL · 41DB5814AL
Related reactions
1 records
Compound notes
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