Basic information
- CAS
400822-48-2- Standard SMILES
Oc1cccc(O)c1N(c1c(O)cccc1O)c1c(O)cccc1O- InChIKey
FGUKZOJWDGMWEA-UHFFFAOYSA-N- Molecular formula
- C18H15NO6
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.0899372
Names & identifiers
- Preferred name
- 2,2',2''-Nitrilotri(benzene-1,3-diol)
- IUPAC
- 2-(N-(2,6-dihydroxyphenyl)-2,6-dihydroxyanilino)benzene-1,3-diol
Names & synonyms
DTXSID901282044400822-48-22,2',2''-Nitrilotri(benzene-1,3-diol)1,3-Benzenediol, 2,2a(2),2a(2)a(2)-nitrilotris-
Database identifiers
- CAS
400822-48-2- PubChem CID
- 11348406
- DTXSID
DTXSID901282044- Nikkaji
- J2.100.752H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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