Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
Basic information
- CAS
83465-27-4- Standard SMILES
CCOC(=O)CC1OC(=O)c2ccccc21- InChIKey
BAJHDQGDIOXFJC-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
- IUPAC
- ethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
Names & synonyms
83465-27-4Ethyl 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetateNSC 171693NSC171693Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetateSCHEMBL9528244DTXSID20305802NSC-171693
Database identifiers
- CAS
83465-27-4- PubChem CID
- 299223
- DTXSID
DTXSID20305802- Nikkaji
- J3.265.807E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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