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Basic information
- CAS
119478-49-8- Standard SMILES
[O-][n+]1cccc2c3c(ccc21)C(O)C(O)C1OC31- InChIKey
BYHBFTWVLBYPJO-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- anti-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(f)quinoline N-oxide
- IUPAC
- 6-oxido-14-oxa-6-azoniatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2(7),3,5,8-pentaene-11,12-diol
Names & synonyms
anti-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(f)quinoline N-oxide119478-49-8
Database identifiers
- CAS
119478-49-8- PubChem CID
- 147463
- DTXSID
DTXSID80908515
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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