Basic information
- CAS
27841-29-8- Standard SMILES
Nc1cc(N)c(O)c(O)c1O- InChIKey
KRUMIMIXPBQODK-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
Names & identifiers
- Preferred name
- 4,6-Diamino-1,2,3-benzenetriol
- IUPAC
- 4,6-diaminobenzene-1,2,3-triol
- English name
- 1,2,3-Benzenetriol, 4,6-diamino-
- Molecular formula
- C6H8N2O3
- Molecular weight
- 156.14
Names & synonyms
4,6-Diamino-1,2,3-benzenetriolSCHEMBL2023376DB-1286891,2,3-Benzenetriol, 4,6-diamino-
Database identifiers
- CAS
27841-29-8- Nikkaji
- J802.649A
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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