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ScientificNameLabel
Beta-Ionene
PHCD compound ID : 2855
Chemical Names :
Beta-Ionene
Molecular Formula : C13H18
Molecular Weight : 174.140851
More Details :
Names & Synonyms: 2,2,6-trimethyltetralin , 3,3,7-trimethyl-2,4-dihydro-1H-naphthalene
Smiles: Cc1ccc2c(c1)CCC(C2)(C)C
InChi : InChI=1S/C13H18/c1-10-4-5-12-9-13(2,3)7-6-11(12)8-10/h4-5,8H,6-7,9H2,1-3H3
InChi Key : InChIKey=VTRHHONBTFDYOU-UHFFFAOYSA-N
PubChem ID : 53249763
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.853598
Hydrogen bond donor count : 0 Electric dipole moment : 0.577
XLogP : 4.96 VDW volume : 189.881965
Molecular weight : 174.140851 HOMO-LUMO gap : 9.361000
Herb list :
Refrences & Litretures:
  
359.      Journal:'Flavour Fragr. J'      Year:'2006'      Volume:'21'      Page:'519'      DOI:'10.1002/ffj.1667'      Title:'Chemical composition of the essential oils of Rubia tinctorum L. aerial parts from Iran'
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
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