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ScientificNameLabel
Hexacosanal
PHCD compound ID : 928
Chemical Names :
Hexacosanal
Molecular Formula : C26H52O1
Molecular Weight : 380.401816
More Details :
Names & Synonyms: hexacosanal , cerotaldehyde
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChi : InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3
InChi Key : InChIKey=QAXXQMIHMLTJQI-UHFFFAOYSA-N
PubChem ID : 3084462
Rotatable bond count : 24 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.083918
Hydrogen bond donor count : 0 Electric dipole moment : 2.973
XLogP : 13.674 VDW volume : 464.405827
Molecular weight : 380.401816 HOMO-LUMO gap : 10.872000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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