Basic information
- Standard SMILES
O=C(O)CCC(C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
WHGCSJYLVKPHSS-UHFFFAOYSA-N- Molecular formula
- C13H10N2O8
- Average molar mass
- 322.23 g/mol
Names & identifiers
- Preferred name
- 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid
- IUPAC
- 2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid
Names & synonyms
NSC527984SCHEMBL2167750WHGCSJYLVKPHSS-UHFFFAOYSA-NNSC-5279841-(4-nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid
Database identifiers
- PubChem CID
- 352798
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 569
Related reactions
3 records
Compound notes
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