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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol , (9E,12E,15E)-1-octadeca-9,12,15-trienol
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| Smiles: |
OCCCCCCCC/C=C/C/C=C/C/C=C/CC
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| InChi : |
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3+,7-6+,10-9+
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| InChi Key : |
InChIKey=IKYKEVDKGZYRMQ-IUQGRGSQSA-N
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| PubChem ID : |
5367327
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| Rotatable bond count : |
13
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.513931
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.860
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| XLogP : |
7.647
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VDW volume : |
320.765033
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| Molecular weight : |
264.245316
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HOMO-LUMO gap : |
10.615000
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| Herb list : |
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| Refrences & Litretures: |
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