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Sebacic acid,di(but-2-enyl) ester
PHCD compound ID : 4414
Chemical Names :
Sebacic acid,di(but-2-enyl) ester
Molecular Formula : C18H30O4
Molecular Weight : 310.214409
More Details :
Names & Synonyms: bis[(E)-but-2-enyl] decanedioate , decanedioic acid bis[(E)-but-2-enyl] ester , sebacic acid bis[(E)-but-2-enyl] ester
Smiles: C/C=C/COC(=O)CCCCCCCCC(=O)OC/C=C/C
InChi : InChI=1S/C18H30O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-6H,7-16H2,1-2H3/b5-3+,6-4+
InChi Key : InChIKey=VJRHCDYOCZWQAE-GGWOSOGESA-N
PubChem ID : 88009632
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 9.854748
Hydrogen bond donor count : 0 Electric dipole moment : 0.327
XLogP : 5.202 VDW volume : 344.499254
Molecular weight : 310.214409 HOMO-LUMO gap : 10.793000
Herb list :
Refrences & Litretures:
  
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
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