Skip Navigation Links
ScientificNameLabel
1-Methylcyclohexa-1.3-diene
PHCD compound ID : 3734
Chemical Names :
1-Methylcyclohexa-1.3-diene
Molecular Formula : C7H9
Molecular Weight : 93.070425
More Details :
Names & Synonyms: 1-methylcyclohexa-1,3-diene
Smiles: CC1=CC=C[CH]C1
InChi : InChI=1S/C7H9/c1-7-5-3-2-4-6-7/h2-5H,6H2,1H3
InChi Key : InChIKey=OQTOUIXVVARIEF-UHFFFAOYSA-N
PubChem ID : 12890865
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 7.883692
Hydrogen bond donor count : 0 Electric dipole moment : 1.330
XLogP : 2.66 VDW volume : 110.680746
Molecular weight : 93.070425 HOMO-LUMO gap : 8.632000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us