Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C10H10O6
- Molecular weight
- 226.18 g/mol
- IUPAC name
- 1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
- SMILES
- C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O
- InChIKey
- FPWMCUPFBRFMLH-UHFFFAOYSA-N
- XLogP
- -0.5
- Polar surface area
- 112 Ų
- H-bond donors
- 3
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Has part
- hydrogen
- Mass
- 226.04773804
Show 6 more facts
- chemical formula
- C₁₀H₁₀O₆
- Commons category
- Prephenic acid
- isomeric SMILES
- O=C(O)[C@@]/1(CC(=O)C(O)=O)\C=C/[C@@H](O)\C=C\1
- found in taxon
- Escherichia coli
- canonical SMILES
- O=C(O)C(=O)CC1(C=CC(O)C=C1)C(=O)O
- subject has role
- primary metabolite
via Wikidata · CC0