Basic information
- CAS
97284-34-9- Standard SMILES
O=c1[nH]cc2ccc3cccc4ccc1c2c34- InChIKey
KPWKQHVVKGWRLS-UHFFFAOYSA-N- Molecular formula
- C15H9NO
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.06841391
Names & identifiers
- Preferred name
- Naphth(2,1,8-def)isoquinolin-1-ol
- IUPAC
- 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),7,9,11(15),12-heptaen-5-one
Names & synonyms
2-Aza-1-hydroxypyreneCCRIS 159897284-34-91-Hydroxynaphtho(2,1,8-def)isoquinolineNaphth(2,1,8-def)isoquinolin-1(2H)-oneNAPHTH(2,1,8-def)ISOQUINOLIN-1-OLDTXSID20242844RefChem:365220DTXCID501653351-hydroxy-2-azapyrenenaphtho[2,1,8-def]isoquinolin-1-olnaphtho[2,1,8-def]isoquinolin-1(2H)-one
Database identifiers
- CAS
97284-34-9- PubChem CID
- 57196
- DTXSID
DTXSID20242844
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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