Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)-
Basic information
- CAS
64466-48-4- Standard SMILES
COc1ccc2c(C(C)=O)coc2c1OC- InChIKey
NJYJDKKWBOFQLS-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)-
- IUPAC
- 1-(6,7-dimethoxy-1-benzofuran-3-yl)ethanone
- English name
- 1-(6,7-Dimethoxy-2-benzofuranyl)ethanone
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
6,7-Dimethoxy-2-benzofuranyl methyl ketoneBRN 12487971-(6,7-Dimethoxy-2-benzofuranyl)ethanone64466-48-4Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)-DTXSID30214714KETONE, 6,7-DIMETHOXY-2-BENZOFURANYL METHYL5-18-03-00245 (Beilstein Handbook Reference)RefChem:341261DTXCID60137205Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)-(9CI)1-(6,7-Dimethoxy-1-benzofuran-3-yl)ethan-1-one
Show more names
1-(6,7-dimethoxybenzofuran-2-yl)ethanone
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI)
Database identifiers
- CAS
64466-48-4- PubChem CID
- 47370
- DTXSID
DTXSID30214714
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 321.16 °C · 321.16°C (rough estimate)
- Density
- 1.2313 · 1.2313 (rough estimate)
- refractive index
- 1.716 · 1.7160 (estimate)
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Related reactions
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Compound notes
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