Basic information
- CAS
98555-06-7- Standard SMILES
CC(=O)Nc1ccc([O-])c([N+]#N)c1- InChIKey
YAHSRQTYBZAIFM-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 4-Acetylamino-6-diazo-2,4-cyclohexadienone
- IUPAC
- 4-acetamido-2-diazoniophenolate
Names & synonyms
4-Acetylamino-6-diazo-2,4-cyclohexadienoneN-(3-Diazo-4-oxo-1,5-cyclohexadien-1-yl)acetamideAcetamide, N-(3-diazo-4-oxo-1,5-cyclohexadien-1-yl)-AKOS006280173
Database identifiers
- CAS
98555-06-7- PubChem CID
- 150495
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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