Basic information
- CAS
6969-80-8- Standard SMILES
COc1cc(-c2ccc3c(c2)OCO3)oc(=O)c1- InChIKey
ZSJPJQCPMSZDJX-UHFFFAOYSA-N- Molecular formula
- C13H10O5
- Average molar mass
- 246.21 g/mol
- Monoisotopic mass
- 246.05282342
Overview
6-(2H-1,3-Benzodioxol-5-yl)-4-methoxy-2H-pyran-2-one has been reported in Aniba firmula with data available.
Names & identifiers
- Preferred name
- 6-(2H-1,3-Benzodioxol-5-yl)-4-methoxy-2H-pyran-2-one
- IUPAC
- 6-(1,3-benzodioxol-5-yl)-4-methoxypyran-2-one
Names & synonyms
6969-80-8DTXSID702904516-(2H-1,3-Benzodioxol-5-yl)-4-methoxy-2H-pyran-2-one6-(1,3-benzodioxol-5-yl)-4-methoxypyran-2-oneRefChem:306539DTXCID00241597NSC68685NSC-68685
Database identifiers
- CAS
6969-80-8- PubChem CID
- 249889
- DTXSID
DTXSID70290451
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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