Tetramethylene furoxan
Basic information
- CAS
2209-36-1- Standard SMILES
[O-][n+]1onc2c1CCCC2- InChIKey
QGKVXABSCOHTLN-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- Tetramethylene furoxan
- IUPAC
- 3-oxido-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-3-ium
Names & synonyms
Tetramethylene furoxan2209-36-1DTXSID70176589RefChem:384238DTXCID90990804,5,6,7-tetrahydrobenzofuroxanAKOS024328877Benzofurazan, 4,5,6,7-tetrahydro-, 2-oxide1-Oxo-4,5,6,7-tetrahydro-2,1lambda~5~,3-benzoxadiazole
Database identifiers
- CAS
2209-36-1- PubChem CID
- 137495
- DTXSID
DTXSID70176589- Nikkaji
- J1.424.862E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
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Compound notes
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