5-([1,3]Dioxolo[4,5-g]isoquinolin-5-yl)-2-hydroxy-3,4-dimethoxybenzaldehyde
Basic information
- CAS
73609-04-8- Standard SMILES
COc1c(-c2nccc3cc4c(cc23)OCO4)cc(C=O)c(O)c1OC- InChIKey
AZJDXMHYCQPRET-UHFFFAOYSA-N- Molecular formula
- C19H15NO6
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 353.0899372
Names & identifiers
- Preferred name
- 5-([1,3]Dioxolo[4,5-g]isoquinolin-5-yl)-2-hydroxy-3,4-dimethoxybenzaldehyde
- IUPAC
- 5-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-hydroxy-3,4-dimethoxybenzaldehyde
Database identifiers
- CAS
73609-04-8- PubChem CID
- 156012
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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