Basic information
- CAS
5423-32-5- Standard SMILES
COc1cc(C(=O)c2cc3c(cc2C=O)OCO3)cc(OC)c1OC- InChIKey
YSAAXPPIIQRXEC-UHFFFAOYSA-N- Molecular formula
- C18H16O7
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.08960285
Names & identifiers
- Preferred name
- 6-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carbaldehyde
- IUPAC
- 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carbaldehyde
Names & synonyms
5423-32-5NSC5702DTXSID902780196-(3,4,5-Trimethoxybenzoyl)-2H-1,3-benzodioxole-5-carbaldehydeNSC-5702
Database identifiers
- CAS
5423-32-5- PubChem CID
- 221306
- DTXSID
DTXSID90278019
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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