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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
benzyl (9Z,12Z)-octadeca-9,12-dienoate , (9Z,12Z)-octadeca-9,12-dienoic acid (phenylmethyl) ester , (phenylmethyl) (9Z,12Z)-octadeca-9,12-dienoate , (9Z,12Z)-octadeca-9,12-dienoic acid benzyl ester
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| Smiles: |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCc1ccccc1
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| InChi : |
InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3/b7-6-,10-9-
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| InChi Key : |
InChIKey=YDTIDQXHYVFIKB-HZJYTTRNSA-N
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| PubChem ID : |
5368290
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| Rotatable bond count : |
17
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.500611
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.952
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| XLogP : |
9.278
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VDW volume : |
419.461317
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| Molecular weight : |
370.28718
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HOMO-LUMO gap : |
9.592000
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| Herb list : |
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| Refrences & Litretures: |
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