Ethyl 5-(furan-2-ylmethylidene)-2-methyl-4-oxofuran-3-carboxylate

HCID 323985

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Basic information

CAS: 60404-06-0
Standard SMILES: CCOC(=O)C1=C(C)OC(=Cc2ccco2)C1=O
InChIKey: ZMHIWDGGJQNGAF-UHFFFAOYSA-N
Molecular formula: C13H12O5
Average molar mass: 248.23 g/mol
Monoisotopic mass: 248.06847348

Names & identifiers

Preferred name: Ethyl 5-(furan-2-ylmethylidene)-2-methyl-4-oxofuran-3-carboxylate
IUPAC: ethyl 5-(furan-2-ylmethylidene)-2-methyl-4-oxofuran-3-carboxylate

Names & synonyms

60404-06-0DTXSID10314701ethyl 5-(furan-2-ylmethylidene)-2-methyl-4-oxofuran-3-carboxylateEthyl 5-[(furan-2-yl)methylidene]-2-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate

Database identifiers

CAS: 60404-06-0
PubChem CID: 323985
DTXSID: DTXSID10314701

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 433

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