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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(10E,12Z,15Z)-9-oxooctadeca-10,12,15-trienoic acid , (10E,12Z,15Z)-9-oxidanylideneoctadeca-10,12,15-trienoic acid , (10E,12Z,15Z)-9-ketooctadeca-10,12,15-trienoic acid
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| Smiles: |
CC/C=C\C/C=C\C=C\C(=O)CCCCCCCC(=O)O
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| InChi : |
InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+
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| InChi Key : |
InChIKey=ACHDMUPTZYZIGR-CUHSZNQNSA-N
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| PubChem ID : |
11380794
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| Rotatable bond count : |
13
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.769594
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.138
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| XLogP : |
5.329
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VDW volume : |
333.072569
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| Molecular weight : |
292.203845
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HOMO-LUMO gap : |
9.384000
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| Herb list : |
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| Refrences & Litretures: |
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