Structure via PubChem · Public domain (PubChem)
isochorismic acid
Sign in to saveAlso known as (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
chemical compound
Chemical data
- Formula
- C10H10O6
- Molecular weight
- 226.18 g/mol
- IUPAC name
- (5S,6S)-5-(1-carboxyethenoxy)-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
- SMILES
- C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O
- InChIKey
- NTGWPRCCOQCMGE-YUMQZZPRSA-N
- XLogP
- 0.8
- Polar surface area
- 104 Ų
- H-bond donors
- 3
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 226.048
Show 5 more facts
- chemical formula
- C₁₀H₁₀O₆
- canonical SMILES
- C=C(C(=O)O)OC1C=CC=C(C1O)C(=O)O
- subject has role
- primary metabolite
- isomeric SMILES
- C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O
- found in taxon
- Catharanthus roseus
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