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Dodecanoic acid,butylester
PHCD compound ID : 1058
Chemical Names :
Dodecanoic acid,butylester
Molecular Formula : C16H32O2
Molecular Weight : 256.24023
More Details :
Names & Synonyms: butyl dodecanoate , dodecanoic acid butyl ester , lauric acid butyl ester
Smiles: CCCCCCCCCCCC(=O)OCCCC
InChi : InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
InChi Key : InChIKey=NDKYEUQMPZIGFN-UHFFFAOYSA-N
PubChem ID : 61015
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.697717
Hydrogen bond donor count : 0 Electric dipole moment : 2.027
XLogP : 6.965 VDW volume : 300.236207
Molecular weight : 256.24023 HOMO-LUMO gap : 11.897000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
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