1,3-Benzodioxole-5-carboxaldehyde, 4-hydroxy-7-methoxy-
Basic information
- CAS
113326-44-6- Standard SMILES
COc1cc(C=O)c(O)c2c1OCO2- InChIKey
MMAVSDYXLXFDNG-UHFFFAOYSA-N- Molecular formula
- C9H8O5
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.03717335
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carboxaldehyde, 4-hydroxy-7-methoxy-
- IUPAC
- 4-hydroxy-7-methoxy-1,3-benzodioxole-5-carbaldehyde
Names & synonyms
113326-44-61,3-Benzodioxole-5-carboxaldehyde, 4-hydroxy-7-methoxy-DTXSID904698044-HYDROXY-7-METHOXY-2H-1,3-BENZODIOXOLE-5-CARBALDEHYDE
Database identifiers
- CAS
113326-44-6- PubChem CID
- 11636996
- DTXSID
DTXSID90469804
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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