Basic information
- CAS
6282-33-3- Standard SMILES
CC(=O)OC(c1ccc2c(c1)OCO2)C(C)C- InChIKey
DSNCSMSFBFYOPB-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-2-methylpropyl acetate
- IUPAC
- [1-(1,3-benzodioxol-5-yl)-2-methylpropyl] acetate
Names & synonyms
6282-33-31-(1,3-benzodioxol-5-yl)-2-methylpropyl acetateNSC7033DTXSID10278339NSC-70331-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl acetate
Database identifiers
- CAS
6282-33-3- PubChem CID
- 221920
- DTXSID
DTXSID10278339
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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