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ScientificNameLabel
Lauric anhydride
PHCD compound ID : 4338
Chemical Names :
Lauric anhydride
Molecular Formula : C24H46O3
Molecular Weight : 382.344695
More Details :
Names & Synonyms: dodecanoyl dodecanoate , dodecanoic acid 1-oxododecyl ester , lauric acid lauroyl ester
Smiles: CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
InChi : InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChi Key : InChIKey=NWADXBLMWHFGGU-UHFFFAOYSA-N
PubChem ID : 69527
Rotatable bond count : 22 Rule of five : 2
Hydrogen bond acceptor count : 3 Ionization potential : 10.759449
Hydrogen bond donor count : 0 Electric dipole moment : 3.750
XLogP : 11.439 VDW volume : 444.757852
Molecular weight : 382.344695 HOMO-LUMO gap : 11.181000
Herb list :
Refrences & Litretures:
  
635.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'566'      Page:'172'      DOI:'10.1016/j.aca.2006.03.014'      Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'
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