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ScientificNameLabel
benzene,1-methyl-4-(1-methylpropyl)
PHCD compound ID : 2932
Chemical Names :
benzene,1-methyl-4-(1-methylpropyl)
Molecular Formula : C11H16
Molecular Weight : 148.125201
More Details :
Names & Synonyms: 1-methyl-4-sec-butyl-benzene , 1-butan-2-yl-4-methylbenzene , 1-butan-2-yl-4-methyl-benzene
Smiles: CC[C@@H](c1ccc(cc1)C)C
InChi : InChI=1S/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3/t10-/m0/s1
InChi Key : InChIKey=LWCFXYMSEGQWNB-JTQLQIEISA-N
PubChem ID : 519195
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.067837
Hydrogen bond donor count : 0 Electric dipole moment : 0.156
XLogP : 4.403 VDW volume : 167.646455
Molecular weight : 148.125201 HOMO-LUMO gap : 9.496000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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