Ethyl 5-[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]furan-2-carboxylate
Basic information
- CAS
51129-67-0- Standard SMILES
CCOC(=O)c1ccc(CC(=O)c2c(O)cc(O)cc2O)o1- InChIKey
QOHKWIVDBHXSJP-UHFFFAOYSA-N- Molecular formula
- C15H14O7
- Average molar mass
- 306.27 g/mol
- Monoisotopic mass
- 306.07395278
Names & identifiers
- Preferred name
- Ethyl 5-[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]furan-2-carboxylate
- IUPAC
- ethyl 5-[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]furan-2-carboxylate
Names & synonyms
ethyl 5-[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]furan-2-carboxylateethyl 5-(2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl)furan-2-carboxylateOprea1_80369151129-67-0DTXSID001166174STL512731AKOS030487975EU-0069824AB00684085-01SR-01000005145SR-01000005145-1Ethyl 5-[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]-2-furancarboxylate
Database identifiers
- CAS
51129-67-0- PubChem CID
- 854592
- DTXSID
DTXSID001166174
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
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Compound notes
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