Ethyl 7-acetyl-6-hydroxy-3-methyl-1-benzofuran-2-carboxylate
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Basic information
- CAS
53725-11-4- Standard SMILES
CCOC(=O)c1oc2c(C(C)=O)c(O)ccc2c1C- InChIKey
NEUAAYOFEFRUOC-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- Ethyl 7-acetyl-6-hydroxy-3-methyl-1-benzofuran-2-carboxylate
- IUPAC
- ethyl 7-acetyl-6-hydroxy-3-methyl-1-benzofuran-2-carboxylate
Names & synonyms
53725-11-4ethyl 7-acetyl-6-hydroxy-3-methyl-1-benzofuran-2-carboxylateNSC205078DTXSID90308582NSC-205078
Database identifiers
- CAS
53725-11-4- PubChem CID
- 307222
- DTXSID
DTXSID90308582
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
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Compound notes
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