1-4-(3-Methyltriazeno)benzoic acid
Basic information
- CAS
40843-84-3- Standard SMILES
CN=NNc1ccc(C(=O)O)cc1- InChIKey
BOCQEKBKBUOBCR-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.06947654
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-4-(3-Methyltriazeno)benzoic acid
- IUPAC
- 4-(2-methyliminohydrazinyl)benzoic acid
- English name
- p-(3-Methyl-1-triazeno)benzoic acid, potassium salt
- Molecular formula
- C8H9N3O2
- Molecular weight
- 179.18
Names & synonyms
MTBAMM-Cook1-4-(3-Methyltriazeno)benzoic acid40843-84-31-p-(3-Methyltriazeno)benzoic acid potassium salt4-(3-Methyl-1-triazenyl)benzoic acidDTXSID20193822RefChem:74795DTXCID60116313462-670-4SCHEMBL22692231SCHEMBL29063226
Show more names
Benzoic acid, 4-(3-methyl-2-triazen-1-yl)-p-(3-Methyl-1-triazeno)benzoic acid, potassium salt
SCHEMBL29398822BOCQEKBKBUOBCR-UHFFFAOYSA-NBenzoic acid, 4-(3-methyl-1-triazenyl)-4-[(2E)-3-Methyltriaz-2-en-1-yl]benzoic acid
Database identifiers
- CAS
40843-84-3- PubChem CID
- 154190
- DTXSID
DTXSID20193822- Nikkaji
- J391.932C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 331.3 · 331.3±44.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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