(6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate
Basic information
- CAS
5469-01-2- Standard SMILES
C=CCc1cc2c(cc1COC(C)=O)OCO2- InChIKey
XHLVJDTTZCRSGA-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate
- IUPAC
- (6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate
Names & synonyms
(6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate5469-01-2NSC15700DTXSID90280152NSC-15700[6-(PROP-2-EN-1-YL)-2H-1,3-BENZODIOXOL-5-YL]METHYL ACETATE
Database identifiers
- CAS
5469-01-2- PubChem CID
- 225862
- DTXSID
DTXSID90280152
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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