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ScientificNameLabel
Benzaldehyde.3.5-dimethyl-
PHCD compound ID : 3765
Chemical Names :
Benzaldehyde.3.5-dimethyl-
Molecular Formula : C9H10O1
Molecular Weight : 134.073165
More Details :
Names & Synonyms: 3,5-dimethylbenzaldehyde
Smiles: O=Cc1cc(C)cc(c1)C
InChi : InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
InChi Key : InChIKey=NBEFMISJJNGCIZ-UHFFFAOYSA-N
PubChem ID : 34225
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.564413
Hydrogen bond donor count : 0 Electric dipole moment : 3.578
XLogP : 1.847 VDW volume : 139.208254
Molecular weight : 134.073165 HOMO-LUMO gap : 9.016000
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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