Basic information
- CAS
96573-27-2- Standard SMILES
CCCOc1cc2c(c(OC)c1OC)OCO2- InChIKey
RQSKVIBQOSPHOE-UHFFFAOYSA-N- Molecular formula
- C12H16O5
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.09977361
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 4,5-dimethoxy-6-propoxy-
- IUPAC
- 4,5-dimethoxy-6-propoxy-1,3-benzodioxole
Names & synonyms
1,3-benzodioxole, 4,5-dimethoxy-6-propoxy-96573-27-2DTXSID602423434,5-Dimethoxy-6-propoxy-2H-1,3-benzodioxole
Database identifiers
- CAS
96573-27-2- PubChem CID
- 180705
- DTXSID
DTXSID60242343
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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