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ScientificNameLabel
Caffeine
PHCD compound ID : 3750
Chemical Names :
Caffeine
Molecular Formula : C8H10N4O2
Molecular Weight : 194.080376
More Details :
Names & Synonyms: 1,3,7-trimethylpurine-2,6-dione , caffeine
Smiles: Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChi : InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChi Key : InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N
PubChem ID : 2519
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.976035
Hydrogen bond donor count : 0 Electric dipole moment : 3.677
XLogP : -0.495 VDW volume : 162.333078
Molecular weight : 194.080376 HOMO-LUMO gap : 8.531000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
858.      Journal:'Indo Am. J. P. Sci'      Year:'2019'      Volume:'6'      Page:'4138'      DOI:''      Title:'CHEMICAL COMPOSITION OF ILLICIUM VERUM (STAR ANISE) FRUIT'
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