Benzo(h)quinoline, 1-oxide
Basic information
- CAS
17104-70-0- Standard SMILES
[O-][n+]1cccc2ccc3ccccc3c21- InChIKey
ZXRYLHUIZFXIIL-UHFFFAOYSA-N- Molecular formula
- C13H9NO
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.06841391
Names & identifiers
- Preferred name
- Benzo(h)quinoline, 1-oxide
- IUPAC
- 1-oxidobenzo[h]quinolin-1-ium
- English name
- BENZO(H)QUINOLINE1-OXIDE
- Molecular formula
- C13H9NO
- Molecular weight
- 195.22
Names & synonyms
Benzo(h)quinoline, 1-oxideBenzo[h]quinoline 1-oxide17104-70-01-oxidobenzo[h]quinolin-1-iumBenzo(H)quinoline 1-oxideBenzo[h]quinoline, 1-oxideNSC-243871NSC243871benzo[h]quinoline N-oxideZ8KY8U35TSSCHEMBL6684284DTXSID60168998
Show more names
BENZO(H)QUINOLINE1-OXIDE
SAA429001-Oxo-1lambda~5~-benzo[h]quinolineSY475206
Database identifiers
- CAS
17104-70-0- PubChem CID
- 99573
- DTXSID
DTXSID60168998- UNII
- Z8KY8U35TS
- Nikkaji
- J1.271.949C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 408.9 · 408.9±28.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 0.87 · 0.87±0.30(Predicted)
- FDA UNII
- 8 KY8U35TS · Z8KY8U35TS
Chemistry & industry
Upstream & downstream products
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