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| Name | Thujic Acid |
|---|---|
| Synonyms | 5,5-Dimethyl-1-Cyclohepta-1,3,6-Trienecarboxylic Acid; 1,3,6-Cycloheptatriene-1-Carboxylic Acid, 5,5-Dimethyl-; Nsc36728 |
| Molecular Structure |  |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 |
| CAS Registry Number | 499-89-8 |
| SMILES | CC1(C=CC(=CC=C1)C(O)=O)C |
| InChI | 1S/C10H12O2/c1-10(2)6-3-4-8(5-7-10)9(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | JHHXPQAUADQJBQ-UHFFFAOYSA-N |
| Density | 1.1±0.1g/cm3 (Cal.) |
|---|---|
| Boiling point | 285.7±29.0°C at 760 mmHg (Cal.) |
| Flash point | 133.7±18.9°C (Cal.) |
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