Basic information
- CAS
23565-55-1- Standard SMILES
O=c1c2cc3c(=O)n(CO)c(=O)c3cc2c(=O)n1CO- InChIKey
WYIYWJZGIKXMHD-UHFFFAOYSA-N- Molecular formula
- C12H8N2O6
- Average molar mass
- 276.2 g/mol
- Monoisotopic mass
- 276.03823598
Names & identifiers
- Preferred name
- 2,6-Bis(hydroxymethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
- IUPAC
- 2,6-bis(hydroxymethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Names & synonyms
23565-55-12,6-bis(hydroxymethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetroneNSC367779SCHEMBL11267535DTXSID40320996NSC-3677792,6-Bis(hydroxymethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Database identifiers
- CAS
23565-55-1- PubChem CID
- 339798
- DTXSID
DTXSID40320996- Nikkaji
- J1.910.875I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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