Basic information
- CAS
71046-35-0- Standard SMILES
COc1cc2ccnc(C=O)c2cc1OC- InChIKey
UHZKUBULBNDNTD-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 6,7-Dimethoxyisoquinoline-1-carbaldehyde
- IUPAC
- 6,7-dimethoxyisoquinoline-1-carbaldehyde
Names & synonyms
6,7-dimethoxyisoquinoline-1-carbaldehyde71046-35-0MLS002920743NSC147811CHEMBL1906558SCHEMBL10973291DTXSID50301993NSC-147811SMR001798329EN300-319152
Database identifiers
- CAS
71046-35-0- PubChem CID
- 287724
- DTXSID
DTXSID50301993- ChEMBL
CHEMBL1906558
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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