CID 339301
Basic information
- CAS
74808-60-9- Standard SMILES
O=[N+]1c2ccccc2CCc2ccccc2N1[O-]- InChIKey
VBTZDEOGSHVMHM-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Names & identifiers
- Preferred name
- CID 339301
- IUPAC
- 6-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide
Database identifiers
- CAS
74808-60-9- PubChem CID
- 339301
- DTXSID
DTXSID10320842
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
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Related reactions
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Compound notes
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