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ScientificNameLabel
Lilial
PHCD compound ID : 5347
Chemical Names :
Lilial
Molecular Formula : C14H20O1
Molecular Weight : 204.151415
More Details :
Names & Synonyms: 3-(4-tert-butylphenyl)-2-methyl-propanal , 3-(4-tert-butylphenyl)-2-methylpropanal , 3-(4-tert-butylphenyl)-2-methylpropanal , 3-(4-tert-butylphenyl)-2-methyl-propionaldehyde
Smiles: O=C[C@@H](Cc1ccc(cc1)C(C)(C)C)C
InChi : InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3/t11-/m1/s1
InChi Key : InChIKey=SDQFDHOLCGWZPU-LLVKDONJSA-N
PubChem ID : 228987
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.299009
Hydrogen bond donor count : 0 Electric dipole moment : 3.361
XLogP : 4.112 VDW volume : 225.688177
Molecular weight : 204.151415 HOMO-LUMO gap : 9.541000
Herb list :
Refrences & Litretures:
  
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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