Basic information
- CAS
6158-57-2- Standard SMILES
CCOC(=O)CC1(c2ccccc2)OC(=O)c2ccccc21- InChIKey
IMXQWKMBDWYQJZ-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- Ethyl (3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetate
- IUPAC
- ethyl 2-(3-oxo-1-phenyl-2-benzofuran-1-yl)acetate
Names & synonyms
6158-57-2Ethyl (3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetateNSC172580NSC 172580Ethyl 2-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)acetateNSC-172580DS-007646ethyl 2-(3-oxo-1-phenyl-isobenzofuran-1-yl)acetate
Database identifiers
- CAS
6158-57-2- PubChem CID
- 299504
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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