Basic information
- CAS
6938-22-3- Standard SMILES
COc1c(O)c(C(C)=O)c(OC)c2c1OCC2- InChIKey
ASFNOAURGZPDFP-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- 1-(6-Hydroxy-4,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
- IUPAC
- 1-(6-hydroxy-4,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
- English name
- 1-(6-Hydroxy-4,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
1-(6-hydroxy-4,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl)ethanoneNSC53931SCHEMBL7279525DTXSID60288049ASFNOAURGZPDFP-UHFFFAOYSA-NNSC-539315-acetyl-2,3-dihydro-6-hydroxy-4,7-dimethoxybenzofuran1-(6-Hydroxy-4,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl)ethan-1-oneEthanone, 1-(2,3-dihydro-6-hydroxy-4,7-dimethoxy-5-benzofuranyl)-
Database identifiers
- CAS
6938-22-3、81673-94-1- PubChem CID
- 243769
- DTXSID
DTXSID60288049
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 104 · 104-104.5 °C
- Boiling point
- 421.5 · 421.5±45.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 9.74 · 9.74±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
1 records
Compound notes
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