Compound C8H6O4
2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
CAS: 33739-60-5
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 33739-60-5 |
|---|---|
| SMILES | C1=CC(=C(C(=O)C=C1)O)C(=O)O |
| InChIKey | XSQOERZXJVUACX-UHFFFAOYSA-N |
📖 Product Overview
Compound C8H6O4 (CAS: 33739-60-5) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.13 g/mol. Its IUPAC systematic name is 2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid.
XSQOERZXJVUACX-UHFFFAOYSA-N.
SMILES: C1=CC(=C(C(=O)C=C1)O)C(=O)O.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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