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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[2-hydroxy-1-(hydroxymethyl)ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate , (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 1,3-dihydroxypropan-2-yl ester , 1,3-dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate , 1,3-bis(oxidanyl)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate , (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid (2-hydroxy-1-methylol-ethyl) ester
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| Smiles: |
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO
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| InChi : |
InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-
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| InChi Key : |
InChIKey=ZCCLDKGWJIREQF-PDBXOOCHSA-N
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| PubChem ID : |
11674746
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| Rotatable bond count : |
17
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
4
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Ionization potential : |
9.639337
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
4.734
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| XLogP : |
6.478
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VDW volume : |
396.387208
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| Molecular weight : |
352.26136
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HOMO-LUMO gap : |
10.315000
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| Herb list : |
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| Refrences & Litretures: |
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