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ScientificNameLabel
2E-Tridecanol acetate
PHCD compound ID : 2705
Chemical Names :
2E-Tridecanol acetate
Molecular Formula : C15H30O2
Molecular Weight : 242.22458
More Details :
Names & Synonyms:
Smiles: CCCCCCCCCCC[C@@H](OC(=O)C)C
InChi : InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h14H,4-13H2,1-3H3/t14-/m0/s1
InChi Key : InChIKey=ZJSXXRKLMXNOCL-AWEZNQCLSA-N
PubChem ID :
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.693361
Hydrogen bond donor count : 0 Electric dipole moment : 2.193
XLogP : 6.603 VDW volume : 282.940223
Molecular weight : 242.22458 HOMO-LUMO gap : 11.923000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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