Basic information
- CAS
1099670-08-2- Standard SMILES
CCOC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
OKLSAWICKNFKQJ-UHFFFAOYSA-N- Molecular formula
- C13H12N2O6
- Average molar mass
- 292.24 g/mol
- Monoisotopic mass
- 292.06953611
Names & identifiers
- Preferred name
- Ethyl 1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindole-2-propanoate
- IUPAC
- ethyl 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
Names & synonyms
DTXSID901182383Ethyl 1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindole-2-propanoateAKOS0089481681099670-08-2Ethyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Database identifiers
- CAS
1099670-08-2- PubChem CID
- 43242587
- DTXSID
DTXSID901182383
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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