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ScientificNameLabel
Tetratriacontanal
PHCD compound ID : 932
Chemical Names :
Tetratriacontanal
Molecular Formula : C34H68O1
Molecular Weight : 492.527017
More Details :
Names & Synonyms: tetratriacontanal , geddaldehyde
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChi : InChI=1S/C34H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h34H,2-33H2,1H3
InChi Key : InChIKey=ZSRZISBVEUGQRU-UHFFFAOYSA-N
PubChem ID : 13872005
Rotatable bond count : 32 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.056013
Hydrogen bond donor count : 0 Electric dipole moment : 2.981
XLogP : 18.226 VDW volume : 602.773704
Molecular weight : 492.527017 HOMO-LUMO gap : 10.867000
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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