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Oxalic acid, allyl pentadecyl ester
PHCD compound ID : 3828
Chemical Names :
Oxalic acid, allyl pentadecyl ester
Molecular Formula : C20H36O4
Molecular Weight : 340.26136
More Details :
Names & Synonyms: O2-allyl O1-pentadecyl oxalate , oxalic acid O1-pentadecyl ester O2-prop-2-enyl ester , 1-O-pentadecyl 2-O-prop-2-enyl oxalate , O1-pentadecyl O2-prop-2-enyl ethanedioate , oxalic acid O2-allyl ester O1-pentadecyl ester
Smiles: CCCCCCCCCCCCCCCOC(=O)C(=O)OCC=C
InChi : InChI=1S/C20H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-24-20(22)19(21)23-17-4-2/h4H,2-3,5-18H2,1H3
InChi Key : InChIKey=QEGZQYNEAYSNMK-UHFFFAOYSA-N
PubChem ID : 6420235
Rotatable bond count : 19 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.375170
Hydrogen bond donor count : 0 Electric dipole moment : 3.200
XLogP : 8.178 VDW volume : 381.727682
Molecular weight : 340.26136 HOMO-LUMO gap : 10.318000
Herb list :
Refrences & Litretures:
  
515.      Journal:'World J. Agric. Sci'      Year:'2009'      Volume:'5'      Page:'572'      DOI:''      Title:'Analysis of Phytochemical Constituents and Antimicrobial Activities of Aloe vera L. Against Clinical Pathogens'
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