Basic information
- CAS
90196-44-4- Standard SMILES
O=CNc1cc(N=O)ccc(=O)c1O- InChIKey
XKWDFEMEVJCNTK-UHFFFAOYSA-N- Molecular formula
- C8H6N2O4
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.03275668
Names & identifiers
- Preferred name
- Formamide, N-(6-hydroxy-3-nitroso-7-oxo-1,3,5-cycloheptatrien-1-yl)-
- IUPAC
- N-(2-hydroxy-6-nitroso-3-oxocyclohepta-1,4,6-trien-1-yl)formamide
Names & synonyms
FORMAMIDE, N-(6-HYDROXY-3-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)-90196-44-4RefChem:1085523BRN 2726291RCH-180
Database identifiers
- CAS
90196-44-4- PubChem CID
- 56045
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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