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ScientificNameLabel
Oxiraneoctanoic acid
PHCD compound ID : 2528
Chemical Names :
Oxiraneoctanoic acid
Molecular Formula : C10H18O3
Molecular Weight : 186.125594
More Details :
Names & Synonyms: 8-(oxiran-2-yl)octanoic acid , 8-(2-oxiranyl)octanoic acid , 8-(oxiran-2-yl)caprylic acid
Smiles: OC(=O)CCCCCCC[C@H]1CO1
InChi : InChI=1S/C10H18O3/c11-10(12)7-5-3-1-2-4-6-9-8-13-9/h9H,1-8H2,(H,11,12)/t9-/m0/s1
InChi Key : InChIKey=YCFRRSVDAJUCFW-VIFPVBQESA-N
PubChem ID : 11412796
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.463288
Hydrogen bond donor count : 1 Electric dipole moment : 1.090
XLogP : 2.168 VDW volume : 192.894068
Molecular weight : 186.125594 HOMO-LUMO gap : 11.342000
Herb list :
Refrences & Litretures:
  
291.      Journal:'Food and Bioproducts Processing'      Year:'2012'      Volume:'90'      Page:'87'      DOI:'10.1016/j.fbp.2011.02.010'      Title:'Optimization of enzymatic pretreatment for n-hexane extraction of oil from Silybum marianum seeds using response surface methodology'
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