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Basic information
- Standard SMILES
COC(=O)C(=Cc1ccc2occc2c1)C(C)=O- InChIKey
UVXGISRXCYOGPN-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- Methyl 2-{(benzofuran-5-yl)methylene}-3-oxobutyrate
- IUPAC
- methyl 2-(1-benzofuran-5-ylmethylidene)-3-oxobutanoate
Names & synonyms
SCHEMBL6199569UVXGISRXCYOGPN-UHFFFAOYSA-Nmethyl 2{(benzofuran-5-yl)methylene}-3-oxobutyratemethyl 2-{(benzofuran-5-yl)methylene}-3-oxobutyrateMETHYL 2-{(BENZOFURAN-5-YL) METHYLENE}-3-OXOBUTYRATE
Database identifiers
- PubChem CID
- 54375059
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Related reactions
4 records
Compound notes
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