1-(1,3-Benzodioxol-5-yl)but-3-enyl acetate
Basic information
- CAS
5420-97-3- Standard SMILES
C=CCC(OC(C)=O)c1ccc2c(c1)OCO2- InChIKey
SEPMDINTZXVARF-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)but-3-enyl acetate
- IUPAC
- 1-(1,3-benzodioxol-5-yl)but-3-enyl acetate
Names & synonyms
5420-97-31-(1,3-benzodioxol-5-yl)but-3-enyl acetateNSC66231-(2H-1,3-benzodioxol-5-yl)but-3-en-1-yl acetateDTXSID20278204NSC-6623
Database identifiers
- CAS
5420-97-3- PubChem CID
- 221673
- DTXSID
DTXSID20278204- Nikkaji
- J1.302.662I
Properties
Computed structural properties
- XLogP
- 2.6
- 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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