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ScientificNameLabel
1.3-Cycloheptadiene
PHCD compound ID : 3774
Chemical Names :
1.3-Cycloheptadiene
Molecular Formula : C7H10
Molecular Weight : 94.07825
More Details :
Names & Synonyms: cyclohepta-1,3-diene
Smiles: C1CC=CC=CC1
InChi : InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChi Key : InChIKey=GWYPDXLJACEENP-UHFFFAOYSA-N
PubChem ID : 19969
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.898236
Hydrogen bond donor count : 0 Electric dipole moment : 0.777
XLogP : 3.023 VDW volume : 111.998975
Molecular weight : 94.07825 HOMO-LUMO gap : 9.291000
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'
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