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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
icosa-11,14,17-trienoic acid , eicosa-11,14,17-trienoic acid
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| Smiles: |
CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(=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/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+
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| InChi Key : |
InChIKey=AHANXAKGNAKFSK-IUQGRGSQSA-N
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| PubChem ID : |
3210
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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 : |
9.289693
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.673
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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 : |
10.187000
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| Herb list : |
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| Refrences & Litretures: |
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