Basic information
- CAS
96573-16-9- Standard SMILES
CCCCOc1cc2c(c(OC)c1OC)OCO2- InChIKey
GXZHSJBIQUVSLP-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-
- IUPAC
- 6-butoxy-4,5-dimethoxy-1,3-benzodioxole
Names & synonyms
96573-16-91,3-Benzodioxole, 6-butoxy-4,5-dimethoxy-DTXSID109144476-Butoxy-4,5-dimethoxy-2H-1,3-benzodioxole
Database identifiers
- CAS
96573-16-9- PubChem CID
- 185441
- DTXSID
DTXSID10914447
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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