Basic information
- CAS
7504-12-3- Standard SMILES
COC1(c2ccccc2C)OC(=O)c2c(C)cccc21- InChIKey
VVJPTHRFLICXKG-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 3-methoxy-7-methyl-3-(2-methylphenyl)-
- IUPAC
- 3-methoxy-7-methyl-3-(2-methylphenyl)-2-benzofuran-1-one
Names & synonyms
NSC4076047504-12-31(3H)-Isobenzofuranone, 3-methoxy-7-methyl-3-(2-methylphenyl)-NSC 407604NSC-4076043-methoxy-7-methyl-3-(o-tolyl)isobenzofuran-1-one
Database identifiers
- CAS
7504-12-3- PubChem CID
- 348336
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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