1-(1,3-Benzodioxol-5-yl)but-3-en-1-yl phenylacetate
Basic information
- CAS
5434-13-9- Standard SMILES
C=CCC(OC(=O)Cc1ccccc1)c1ccc2c(c1)OCO2- InChIKey
UAPOBXDQOKNTIO-UHFFFAOYSA-N- Molecular formula
- C19H18O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.12050905
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)but-3-en-1-yl phenylacetate
- IUPAC
- 1-(1,3-benzodioxol-5-yl)but-3-enyl 2-phenylacetate
Names & synonyms
5434-13-91-(1,3-benzodioxol-5-yl)but-3-en-1-yl phenylacetateNSC15725DTXSID20280165NSC-15725NSC408505NSC-4085051-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl phenylacetate
Database identifiers
- CAS
5434-13-9- PubChem CID
- 225883
- DTXSID
DTXSID20280165
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
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Compound notes
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