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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(9Z,11E)-13-oxooctadeca-9,11-dienoic acid , (9Z,11E)-13-oxooctadeca-9,11-dienoic acid , (9Z,11E)-13-oxidanylideneoctadeca-9,11-dienoic acid , (9Z,11E)-13-ketooctadeca-9,11-dienoic acid
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| Smiles: |
CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O
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| InChi : |
InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
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| InChi Key : |
InChIKey=JHXAZBBVQSRKJR-BSZOFBHHSA-N
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| PubChem ID : |
6446027
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| Rotatable bond count : |
14
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.932099
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
5.222
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| XLogP : |
5.656
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VDW volume : |
335.709027
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| Molecular weight : |
294.219495
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HOMO-LUMO gap : |
9.855000
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| Herb list : |
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| Refrences & Litretures: |
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