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Compound: 5546
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References: 992
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Hexacosanal
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 :
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
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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