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Basic information
- Standard SMILES
CCOC(=O)Cc1c(C)oc2ccc(C=O)cc12- InChIKey
IVKSSGNMOYDMRT-UHFFFAOYSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
Names & identifiers
- Preferred name
- (5-Formyl-2-methyl-benzofuran-3-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(5-formyl-2-methyl-1-benzofuran-3-yl)acetate
Names & synonyms
SCHEMBL3604645IVKSSGNMOYDMRT-UHFFFAOYSA-N(5-formyl-2-methyl-benzofuran-3-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 59192011
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
6 records
Compound notes
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