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1H-indene,2,3-dihydro-1,1,3-trimethyl-3-phenyl
PHCD compound ID : 3026
Chemical Names :
1H-indene,2,3-dihydro-1,1,3-trimethyl-3-phenyl
Molecular Formula : C18H20
Molecular Weight : 236.156501
More Details :
Names & Synonyms: 1,1,3-trimethyl-3-phenyl-indane , 1,1,3-trimethyl-3-phenyl-2H-indene
Smiles: C[C@@]1(CC(c2c1cccc2)(C)C)c1ccccc1
InChi : InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3/t18-/m1/s1
InChi Key : InChIKey=ICLPNZMYHDVKKI-GOSISDBHSA-N
PubChem ID : 19793
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.272924
Hydrogen bond donor count : 0 Electric dipole moment : 0.816
XLogP : 6.227 VDW volume : 245.196054
Molecular weight : 236.156501 HOMO-LUMO gap : 9.631000
Herb list :
Refrences & Litretures:
  
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
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