Basic information
- CAS
60890-10-0- Standard SMILES
O=C1C=CC(=O)C(C(=O)Nc2cc(O)ccc2O)=C1- InChIKey
ZCFFWEWVTKYIPQ-UHFFFAOYSA-N- Molecular formula
- C13H9NO5
- Average molar mass
- 259.21 g/mol
- Monoisotopic mass
- 259.04807239
Names & identifiers
- Preferred name
- CID 12377005
- IUPAC
- N-(2,5-dihydroxyphenyl)-3,6-dioxocyclohexa-1,4-diene-1-carboxamide
Database identifiers
- CAS
60890-10-0- PubChem CID
- 12377005
- DTXSID
DTXSID80495157
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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