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Name | 12-Oxophytodienoic Acid |
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Synonyms | 8-[4-Oxo-5-[(E)-Pent-2-Enyl]-1-Cyclopent-2-Enyl]Octanoic Acid; 8-(4-Keto-5-Pent-2-Enyl-1-Cyclopent-2-Enyl)Caprylic Acid; 8-[4-Keto-5-[(E)-Pent-2-Enyl]-1-Cyclopent-2-Enyl]Caprylic Acid |
Molecular Structure | |
Molecular Formula | C18H28O3 |
Molecular Weight | 292.42 |
CAS Registry Number | 67204-66-4 |
SMILES | C(C1C(C(=O)C=C1)C\C=C\CC)CCCCCCC(O)=O |
InChI | 1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3+ |
InChIKey | PMTMAFAPLCGXGK-XVNBXDOJSA-N |
Desity | 1.007g/cm3 (Cal.) |
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Boiling point | 447.702°C at 760 mmHg (Cal.) |
Flash point | 238.691°C (Cal.) |
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