230-27-3
Product Name:
7,8-BENZOQUINOLINE
Formula:
C13H9N
Synonyms:
1-Naphthoquinoline;7,8-Benzoquinoline
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dark yellow crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 0.000218 [mmHg] |
| Ionization Efficiency | Positive |
| Kovats Retention Index | 1753.1 302.57 |
| Chemical Classes | Nitrogen Compounds -> Quinolines |
COMPUTED DESCRIPTORS
| Molecular Weight | 179.22 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.073499291 g/mol |
| Monoisotopic Mass | 179.073499291 g/mol |
| Topological Polar Surface Area | 12.9 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 201 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |