Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C13H12O9
- Molecular weight
- 312.23 g/mol
- IUPAC name
- (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
- SMILES
- C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
- InChIKey
- SWGKAHCIOQPKFW-JTNORFRNSA-N
- XLogP
- 0.1
- Polar surface area
- 162 Ų
- H-bond donors
- 5
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 312.048
Show 3 more facts
- chemical formula
- C₁₃H₁₂O₉
- isomeric SMILES
- C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
- canonical SMILES
- C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O
Sources (2)
via Wikidata · CC0