Basic information
- CAS
6412-92-6- Standard SMILES
CC(C)=CC(=O)OCc1ccc2c(c1)OCO2- InChIKey
MGFGPUOXDPOKKI-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ylmethyl 3-methylbut-2-enoate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl 3-methylbut-2-enoate
Names & synonyms
6412-92-61,3-benzodioxol-5-ylmethyl 3-methylbut-2-enoateNSC405133SCHEMBL26500689DTXSID60323904AKOS017005263NSC-405133(2H-1,3-Benzodioxol-5-yl)methyl 3-methylbut-2-enoate
Database identifiers
- CAS
6412-92-6- PubChem CID
- 346809
- DTXSID
DTXSID60323904
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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