RefChem:1062925
2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
Also Known As: (E,E)-2-(4-Carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-2-cyclohexene-1-carboxylic acid|2-Cyclohexene-1-carboxylic acid, 2-(4-carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-, (E,E)-|2-[(1E,3E)-5-hydroxy-3-methyl-5-oxopenta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
CAS: 67192-53-4
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.11542 g/mol |
| LogP | 2.3438 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.11542 |
| Monoisotopic Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 550.6112 |
Chemical Identifiers
| CAS Number | 67192-53-4 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C(=O)O)/C=C/C(=C/C(=O)O)/C |
Product Overview
RefChem:1062925 (CAS 67192-53-4), with molecular formula C15H18O5 and molecular weight 278.11542 g/mol. IUPAC: 2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid.
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.
View MSDS →
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