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Compound: 5546
Plants: 312
References: 992
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n-Hexacoseoic acid
ScientificNameLabel
n-Hexacoseoic acid
PHCD compound ID :
2091
Chemical Names :
n-Hexacoseoic acid
Molecular Formula :
C26H52O2
Molecular Weight :
396.396731
More Details :
Names & Synonyms:
hexacosanoic acid , cerotic acid
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChi :
InChI=1S/C26H52O2/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/h2-25H2,1H3,(H,27,28)
InChi Key :
InChIKey=XMHIUKTWLZUKEX-UHFFFAOYSA-N
PubChem ID :
10469
Rotatable bond count :
24
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.551286
Hydrogen bond donor count :
1
Electric dipole moment :
1.721
XLogP :
13.26
VDW volume :
473.196054
Molecular weight :
396.396731
HOMO-LUMO gap :
11.554000
Herb list :
Tamarind, Indian date - Tamarindus indica - تمرهندی
Refrences & Litretures:
249. Journal:'Pak. J. Bot' Year:'2008' Volume:'40' Page:'2553' DOI:'' Title:'CHEMICAL CONSTITUENTS OF TAMARINDUS INDICA L. MEDICINAL PLANT IN SINDH'
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