5,5'-(Diazene-1,2-diyl)bis(benzene-1,2,3-tricarboxylic acid)
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Basic information
- CAS
1236108-27-2- Standard SMILES
O=C(O)c1cc(N=Nc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2)cc(C(=O)O)c1C(=O)O- InChIKey
YXGKLIWJRSIYDO-UHFFFAOYSA-N- Molecular formula
- C18H10N2O12
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 446.02337376
Names & identifiers
- Preferred name
- 5,5'-(Diazene-1,2-diyl)bis(benzene-1,2,3-tricarboxylic acid)
- IUPAC
- 5-[(3,4,5-tricarboxyphenyl)diazenyl]benzene-1,2,3-tricarboxylic acid
- English name
- 1,2,3-tricarboxyazophenyl)benzene
- Molecular formula
- C18H10N2O12
- Molecular weight
- 446.28
Names & synonyms
1236108-27-25,5'-(Diazene-1,2-diyl)bis(benzene-1,2,3-tricarboxylic acid)orb3213918DK73931,2,3-tricarboxyazophenyl)benzene3,4,5,3 ', 4', 5 '-Azobenzene-hexacarboxylic acid3,4,5,3 ', 4', 5 '-Azobenzene-hexacarboxylic acid1,2,3-tricarboxy(1',2',3'-tricarboxyazophenyl)benzene3,4,5-tricarboxyl-(3',4',5'-tricarboxylazophenyl)benzene1,2,3-Benzenetricarboxylic acid, 5,5'-(1,2-diazenediyl)bis-
Database identifiers
- CAS
1236108-27-2- PubChem CID
- 101912029
- Nikkaji
- J3.389.943B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 739
Physicochemical properties
- Boiling point
- 918.5 · 918.5±65.0 °C(Predicted)
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- pka
- 2.08 · 2.08±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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