Basic information
- Standard SMILES
Nc1cc(N)c(O)cc1O.O=C([O-])c1cccnc1C(=O)[O-]- InChIKey
XLBYTZUKCINCFR-UHFFFAOYSA-L- Molecular formula
- C13H11N3O6-2
- Average molar mass
- 305.24 g/mol
Names & identifiers
- Preferred name
- 4,6-Diamino-1,3-benzenediol pyridinedicarboxylate
- IUPAC
- 4,6-diaminobenzene-1,3-diol;pyridine-2,3-dicarboxylate
Names & synonyms
XLBYTZUKCINCFR-UHFFFAOYSA-L4,6-diamino-1,3-benzenediol pyridinedicarboxylate
Database identifiers
- PubChem CID
- 86622992
Properties
Computed structural properties
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- -2
- Complexity
- 301
Related reactions
1 records
Compound notes
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