3(2H)-Benzofuranone, 6-methyl-
Basic information
- CAS
20895-41-4- Standard SMILES
Cc1ccc2c(c1)OCC2=O- InChIKey
VHAUANQYMZUJPS-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.05242949
Names & identifiers
- Preferred name
- 3(2H)-Benzofuranone, 6-methyl-
- IUPAC
- 6-methyl-1-benzofuran-3-one
- English name
- 6-Methyl-3(2H)-benzofuranone
- Molecular formula
- C9H8O2
- Molecular weight
- 148.16
Names & synonyms
20895-41-46-methylbenzofuran-3(2H)-one6-methyl-1-benzofuran-3-one3(2H)-Benzofuranone, 6-methyl-6-METHYL-3(2H)-BENZOFURANONE6-methyl-2,3-dihydro-1-benzofuran-3-oneMFCD151439626-methylbenzofuran-3-oneSCHEMBL2056164DTXSID70943157TQP15286-Methyl-1-benzofuran-3(2H)-one
Show more names
AKOS0175159256-Methyl-1-benzofuran-3(2H)-one #AC-31644DA-16977SY058301CS-0437179EN300-205572Y14103
Database identifiers
- CAS
20895-41-4- PubChem CID
- 30349
- DTXSID
DTXSID70943157- Nikkaji
- J103.250J
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
- 82 °C · 82 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Boiling point
- 134 °C · 134 °C(Press: 17 Torr)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
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Related reactions
2 records
Compound notes
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