7-Methylbenzofuran-3(2H)-one
Basic information
- CAS
669-04-5- Standard SMILES
Cc1cccc2c1OCC2=O- InChIKey
FRLLIMIJMRLFCC-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.0524295
Names & identifiers
- Preferred name
- 7-Methylbenzofuran-3(2H)-one
- IUPAC
- 7-methyl-1-benzofuran-3-one
- English name
- 7-Methyl-3(2H)-benzofuranone
- Molecular formula
- C9H8O2
- Molecular weight
- 148.16
Names & synonyms
7-Methylbenzofuran-3(2H)-one669-04-57-methyl-1-benzofuran-3-one7-methyl-2,3-dihydro-1-benzofuran-3-one7-METHYL-3(2H)-BENZOFURANONE3(2H)-Benzofuranone, 7-methyl-MFCD111377317-Methylbenzofuran-3-oneSCHEMBL12178135DTXSID70217042AAA669047-Methyl-1-benzofuran-3(2H)-one
Show more names
3(2H)-Benzofuranone, 7-methyl
AKOS0002239847-Methyl-1-benzofuran-3(2H)-one #AC-31642AS-32405SY023821DB-333783CS-0257720EN300-67623
Database identifiers
- CAS
669-04-5- PubChem CID
- 12632
- DTXSID
DTXSID70217042- Nikkaji
- J103.251H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 125 °C · 125 °C(Press: 11 Torr)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Applications
Uses7-Methylbenzofuran-3(2H)-one is a useful research chemical used as a reactant in the preparation of (nitroimidazolylmethylene)benzofuranones/indanones.
Related reactions
4 records
Compound notes
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