Dimethyl 2-ethoxy-5-phenylfuran-3,4-dicarboxylate

HCID 5325847

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Basic information

CAS: 20055-19-0
Standard SMILES: CCOc1oc(-c2ccccc2)c(C(=O)OC)c1C(=O)OC
InChIKey: KJLMGWCMNPBZFC-UHFFFAOYSA-N
Molecular formula: C16H16O6
Average molar mass: 304.29 g/mol
Monoisotopic mass: 304.09468823

Names & identifiers

Preferred name: Dimethyl 2-ethoxy-5-phenylfuran-3,4-dicarboxylate
IUPAC: dimethyl 2-ethoxy-5-phenylfuran-3,4-dicarboxylate

Names & synonyms

dimethyl 2-ethoxy-5-phenylfuran-3,4-dicarboxylate20055-19-0Dimethyl 2-ethoxy-5-phenyl-furan-3,4-dicarboxylateDTXSID30416059InChI=1/C16H16O6/c1-4-21-16-12(15(18)20-3)11(14(17)19-2)13(22-16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H

Database identifiers

CAS: 20055-19-0
PubChem CID: 5325847
DTXSID: DTXSID30416059

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 75 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 390

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