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Oxalic acid, allyl hexadecyl ester
PHCD compound ID : 3829
Chemical Names :
Oxalic acid, allyl hexadecyl ester
Molecular Formula : C21H38O4
Molecular Weight : 354.27701
More Details :
Names & Synonyms: O2-allyl O1-hexadecyl oxalate , oxalic acid O1-hexadecyl ester O2-prop-2-enyl ester , 1-O-hexadecyl 2-O-prop-2-enyl oxalate , O1-hexadecyl O2-prop-2-enyl ethanedioate , oxalic acid O2-allyl ester O1-cetyl ester
Smiles: CCCCCCCCCCCCCCCCOC(=O)C(=O)OCC=C
InChi : InChI=1S/C21H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-21(23)20(22)24-18-4-2/h4H,2-3,5-19H2,1H3
InChi Key : InChIKey=CMTRXAQIIFRTCO-UHFFFAOYSA-N
PubChem ID : 6420236
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.459548
Hydrogen bond donor count : 0 Electric dipole moment : 2.125
XLogP : 8.747 VDW volume : 399.023667
Molecular weight : 354.27701 HOMO-LUMO gap : 10.625000
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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