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ScientificNameLabel
9-Geranyl-p-cymene
PHCD compound ID : 1552
Chemical Names :
9-Geranyl-p-cymene
Molecular Formula : C18H26
Molecular Weight : 242.203451
More Details :
Names & Synonyms: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,4-dimethyl-benzene , 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,4-dimethylbenzene
Smiles: C/C(=C\Cc1cc(C)ccc1C)/CCC=C(C)C
InChi : InChI=1S/C18H26/c1-14(2)7-6-8-15(3)10-12-18-13-16(4)9-11-17(18)5/h7,9-11,13H,6,8,12H2,1-5H3/b15-10+
InChi Key : InChIKey=IKVVTAAICQTCAL-XNTDXEJSSA-N
PubChem ID : 91751355
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.836706
Hydrogen bond donor count : 0 Electric dipole moment : 0.498
XLogP : 6.522 VDW volume : 283.44543
Molecular weight : 242.203451 HOMO-LUMO gap : 9.352000
Herb list :
Refrences & Litretures:
  
171.      Journal:'Med Aromat Plants'      Year:'2012'      Volume:'1'      Page:'1000e134'      DOI:'10.4172/2167-0412.1000e134'      Title:'Chemical Composition of the Essential Oil of Quince (Cydonia Oblonga Miller) Leaves'
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