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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(8E,11E,14E)-icosa-8,11,14-trienoic acid , (8E,11E,14E)-eicosa-8,11,14-trienoic acid
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| Smiles: |
CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O
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| InChi : |
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+
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| InChi Key : |
InChIKey=HOBAELRKJCKHQD-YHTMAJSVSA-N
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| PubChem ID : |
5282826
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| Rotatable bond count : |
15
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.539251
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.660
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| XLogP : |
8.676
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VDW volume : |
361.51077
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| Molecular weight : |
306.25588
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HOMO-LUMO gap : |
10.484000
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| Herb list : |
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| Refrences & Litretures: |
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