6-(2-(2H-1,3-Benzodioxol-5-yl)ethenyl)-4-methoxy-2H-pyran-2-one
Basic information
- CAS
3129-60-0- Standard SMILES
COc1cc(C=Cc2ccc3c(c2)OCO3)oc(=O)c1- InChIKey
GLWFCJOUIQRVSV-UHFFFAOYSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Overview
6-[2-(2H-1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-2H-pyran-2-one has been reported in Polygala sellowiana with data available.
Names & identifiers
- Preferred name
- 6-(2-(2H-1,3-Benzodioxol-5-yl)ethenyl)-4-methoxy-2H-pyran-2-one
- IUPAC
- 6-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxypyran-2-one
Names & synonyms
3129-60-0DTXSID806945276-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxypyran-2-one6-[2-(2H-1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-2H-pyran-2-one6-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-methoxypyran-2-one6-(2-(2H-1,3-Benzodioxol-5-yl)ethenyl)-4-methoxy-2H-pyran-2-oneRefChem:306482DTXCID806452766-[2-(2H-1,3-Benzodioxol-5-yl)ethen-1-yl]-4-methoxy-2H-pyran-2-one6-{2-(benzo[d][1,3]dioxol-5-yl)ethenyl}-4-methoxy-2h-pyran-2-one
Database identifiers
- CAS
3129-60-0- PubChem CID
- 53398720
- DTXSID
DTXSID80694527
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 477
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Compound notes
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