Basic information
- CAS
40800-80-4- Standard SMILES
COc1oc2ccccc2c1C(C)=O- InChIKey
MJSHPRKETUOAMJ-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 1-(2-Methoxy-1-benzofuran-3-yl)ethanone
- IUPAC
- 1-(2-methoxy-1-benzofuran-3-yl)ethanone
- English name
- 3-Acetyl-2-methoxybenzofuran
- Molecular formula
- C11H10O3
- Molecular weight
- 190.2
Names & synonyms
40800-80-41-(2-Methoxy-1-benzofuran-3-yl)ethanone3-Acetyl-2-methoxybenzofuran3-Acetyl-2-methoxybenzo[b]furanEthanone, 1-(2-methoxy-3-benzofuranyl)-1-(2-methoxy-1-benzofuran-3-yl)ethan-1-oneDTXSID50344885MJSHPRKETUOAMJ-UHFFFAOYSA-N1-(2-Methoxy-1-benzofuran-3-yl)ethanone #1-(2-Methoxy-3-benzofuranyl)ethanone
Database identifiers
- CAS
40800-80-4- PubChem CID
- 600152
- DTXSID
DTXSID50344885- Nikkaji
- J112.621K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 296.9 · 296.9±20.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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