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ScientificNameLabel
1,3-cyclohexadiene
PHCD compound ID : 1867
Chemical Names :
1,3-cyclohexadiene , 1.3-cyclohexadiene
Molecular Formula : C6H8
Molecular Weight : 80.0626
More Details :
Names & Synonyms: cyclohexa-1,3-diene
Smiles: C1CC=CC=C1
InChi : InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
InChi Key : InChIKey=MGNZXYYWBUKAII-UHFFFAOYSA-N
PubChem ID : 11605
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.900780
Hydrogen bond donor count : 0 Electric dipole moment : 0.791
XLogP : 2.454 VDW volume : 94.70299
Molecular weight : 80.0626 HOMO-LUMO gap : 9.275000
Herb list :
Refrences & Litretures:
  
220.      Journal:'Journal of Medicinal Plants Research'      Year:'2012'      Volume:'6'      Page:'4522'      DOI:'10.5897/JMPR11.933'      Title:'Essential oil content and composition of Mentha longifolia (L.) Hudson grown wild in Iran'
652.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2015'      Volume:'6'      Page:'125'      DOI:''      Title:'Volatile Oil Composition of Carthamus Tinctorius L the Flowers Grown in Kazakhstan'
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