6-Hydroxy-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one
Basic information
- CAS
929339-21-9- Standard SMILES
Cn1cc(C=C2Oc3cc(O)ccc3C2=O)c2ccccc21- InChIKey
FIBUPWAMVDZIAE-UHFFFAOYSA-N- Molecular formula
- C18H13NO3
- Average molar mass
- 291.3 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one
- IUPAC
- 6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
- English name
- (2Z)-6-Hydroxy-2-[(1-methyl-1H-indol-3-yl)-methylene]-1-benzofuran-3(2H)-one
- Molecular formula
- C18H13NO3
- Molecular weight
- 291.3
Names & synonyms
SCHEMBL295168016-hydroxy-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one(2Z)-6-Hydroxy-2-[(1-methyl-1H-indol-3-yl)-methylene]-1-benzofuran-3(2H)-one3(2H)-Benzofuranone, 6-hydroxy-2-[(1-methyl-1H-indol-3-yl)methylene]-6-hydroxy-2-[(1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one(2Z)-6-Hydroxy-2-[(1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
Database identifiers
- CAS
929339-21-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Boiling point
- 568.6 · 568.6±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 6.33 · 6.33±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…