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Oxalic acid, allylundecyl ester
PHCD compound ID : 255
Chemical Names :
Oxalic acid, allylundecyl ester
Molecular Formula : C16H28O4
Molecular Weight : 284.198759
More Details :
Names & Synonyms: O2-allyl O1-undecyl oxalate , oxalic acid O2-prop-2-enyl ester O1-undecyl ester , 2-O-prop-2-enyl 1-O-undecyl oxalate , O2-prop-2-enyl O1-undecyl ethanedioate , oxalic acid O2-allyl ester O1-undecyl ester
Smiles: CCCCCCCCCCCOC(=O)C(=O)OCC=C
InChi : InChI=1S/C16H28O4/c1-3-5-6-7-8-9-10-11-12-14-20-16(18)15(17)19-13-4-2/h4H,2-3,5-14H2,1H3
InChi Key : InChIKey=SUAQXXWHDKGTHX-UHFFFAOYSA-N
PubChem ID : 6420248
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.524898
Hydrogen bond donor count : 0 Electric dipole moment : 2.798
XLogP : 5.902 VDW volume : 312.543743
Molecular weight : 284.198759 HOMO-LUMO gap : 10.648000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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