6-Hydroxy-2-[(2-methylphenyl)methylene]-3(2H)-benzofuranone
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Basic information
- CAS
620545-92-8- Standard SMILES
Cc1ccccc1C=C1Oc2cc(O)ccc2C1=O- InChIKey
CZOCXZAWZDBDCZ-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 6-Hydroxy-2-[(2-methylphenyl)methylene]-3(2H)-benzofuranone
- IUPAC
- 6-hydroxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
- English name
- AKOS BBS-00006148
- Molecular formula
- C16H12O3
- Molecular weight
- 252.26
Names & synonyms
6-Hydroxy-2-[(2-methylphenyl)methylene]-3(2H)-benzofuranoneDTXSID7011889236-hydroxy-2-(o-tolylmethylene)benzofuran-3-one6-Hydroxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3(2H)-oneAKOS BBS-000061483(2H)-Benzofuranone, 6-hydroxy-2-[(2-methylphenyl)methylene]-(2Z)-6-Hydroxy-2-(2-methylbenzylidene)-1-benzofuran-3(2H)-one
Database identifiers
- CAS
620545-92-8- PubChem CID
- 4563259
- DTXSID
DTXSID701188923
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 471.8 · 471.8±45.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 6.51 · 6.51±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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