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ScientificNameLabel
o-isopropenyltoluene
PHCD compound ID : 2779
Chemical Names :
o-isopropenyltoluene
Molecular Formula : C10H12
Molecular Weight : 132.0939
More Details :
Names & Synonyms: 1-isopropenyl-2-methyl-benzene , 1-methyl-2-(1-methylethenyl)benzene , 1-methyl-2-prop-1-en-2-ylbenzene , 1-methyl-2-prop-1-en-2-yl-benzene
Smiles: CC(=C)c1ccccc1C
InChi : InChI=1S/C10H12/c1-8(2)10-7-5-4-6-9(10)3/h4-7H,1H2,2-3H3
InChi Key : InChIKey=OGMSGZZPTQNTIK-UHFFFAOYSA-N
PubChem ID : 81886
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.355833
Hydrogen bond donor count : 0 Electric dipole moment : 0.936
XLogP : 3.721 VDW volume : 147.714011
Molecular weight : 132.0939 HOMO-LUMO gap : 9.650000
Herb list :
Refrences & Litretures:
  
328.      Journal:'Journal of Agricultural Science and Technology A'      Year:'2012'      Volume:'2'      Page:'392'      DOI:''      Title:'Comparison of Essential Oils in Aerial Parts of Artemisia Sieberi from Kashan Province of Iran'
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