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Cyclamen aldehyde
PHCD compound ID : 4203
Chemical Names :
Cyclamen aldehyde
Molecular Formula : C13H18O1
Molecular Weight : 190.135765
More Details :
Names & Synonyms: 3-(4-isopropylphenyl)-2-methyl-propanal , 2-methyl-3-(4-propan-2-ylphenyl)propanal , 2-methyl-3-p-cumenyl-propionaldehyde
Smiles: O=C[C@@H](Cc1ccc(cc1)C(C)C)C
InChi : InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3/t11-/m1/s1
InChi Key : InChIKey=ZFNVDHOSLNRHNN-LLVKDONJSA-N
PubChem ID : 517827
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.321187
Hydrogen bond donor count : 0 Electric dipole moment : 3.335
XLogP : 3.7 VDW volume : 208.392192
Molecular weight : 190.135765 HOMO-LUMO gap : 9.542000
Herb list :
Refrences & Litretures:
  
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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