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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
methyl (9E,12E,15E)-octadeca-9,12,15-trienoate , (9E,12E,15E)-octadeca-9,12,15-trienoic acid methyl ester
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| Smiles: |
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC
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| InChi : |
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4+,8-7+,11-10+
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| InChi Key : |
InChIKey=DVWSXZIHSUZZKJ-JSIPCRQOSA-N
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| PubChem ID : |
5367462
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| Rotatable bond count : |
14
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.559844
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.749
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| XLogP : |
7.859
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VDW volume : |
344.214785
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| Molecular weight : |
292.24023
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HOMO-LUMO gap : |
10.495000
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| Herb list : |
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| Refrences & Litretures: |
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