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1,2,3-Trimethylindene
PHCD compound ID : 3300
Chemical Names :
1,2,3-Trimethylindene
Molecular Formula : C12H14
Molecular Weight : 158.10955
More Details :
Names & Synonyms: 1,2,3-trimethyl-1H-indene
Smiles: CC1=C(C)[C@@H](c2c1cccc2)C
InChi : InChI=1S/C12H14/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9H,1-3H3/t9-/m0/s1
InChi Key : InChIKey=NPXPQDMZVKFLKB-VIFPVBQESA-N
PubChem ID : 588778
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.563455
Hydrogen bond donor count : 0 Electric dipole moment : 1.256
XLogP : 3.802 VDW volume : 169.949522
Molecular weight : 158.10955 HOMO-LUMO gap : 8.628000
Herb list :
Refrences & Litretures:
  
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
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