Basic information
- CAS
481054-38-0- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)O)cc1)C2=O- InChIKey
UUNUFUZOIMFBBP-UHFFFAOYSA-N- Molecular formula
- C15H9NO7S
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.0099728
Names & identifiers
- Preferred name
- 1,3-Dioxo-2-(4-sulfophenyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
- IUPAC
- 1,3-dioxo-2-(4-sulfophenyl)isoindole-5-carboxylic acid
Names & synonyms
481054-38-0DTXSID607864141,3-Dioxo-2-(4-sulfophenyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
Database identifiers
- CAS
481054-38-0- PubChem CID
- 71362811
- DTXSID
DTXSID60786414
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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