Basic information
- Standard SMILES
C=C(OC1C=C(C(=O)O)C=CC1O)C(=O)O- InChIKey
WTFXTQVDAKGDEY-UHFFFAOYSA-N- Molecular formula
- C10H10O6
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.04773803
Names & identifiers
- Preferred name
- 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
- IUPAC
- 3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
Names & synonyms
SCHEMBL2619122CHEMBL1160745
Database identifiers
- PubChem CID
- 306
- ChEMBL
CHEMBL1160745
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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