Basic information
- CAS
40345-51-5- Standard SMILES
O=C1CCCc2no[n+]([O-])c21- InChIKey
XRTBZVIXBIQAGO-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784206
Names & identifiers
- Preferred name
- 7-Oxo-4,5,6,7-tetrahydrobenzofuroxan
- IUPAC
- 3-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-3-ium-4-one
Names & synonyms
7-oxo-4,5,6,7-tetrahydrobenzofuroxan
Database identifiers
- CAS
40345-51-5- PubChem CID
- 4464852
- DTXSID
DTXSID101219687
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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