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ScientificNameLabel
Malvic
PHCD compound ID : 1827
Chemical Names :
Malvic
Molecular Formula : C18H32O2
Molecular Weight : 280.24023
More Details :
Names & Synonyms: 7-(2-octylcyclopropen-1-yl)heptanoic acid , 7-(2-octyl-1-cyclopropenyl)heptanoic acid , 7-(2-octylcyclopropen-1-yl)enanthic acid
Smiles: CCCCCCCCC1=C(C1)CCCCCCC(=O)O
InChi : InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)
InChi Key : InChIKey=HPSSZFFAYWBIPY-UHFFFAOYSA-N
PubChem ID : 10416
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.183076
Hydrogen bond donor count : 1 Electric dipole moment : 2.221
XLogP : 6.817 VDW volume : 319.835259
Molecular weight : 280.24023 HOMO-LUMO gap : 10.101000
Herb list :
Refrences & Litretures:
  
211.      Journal:'Chemistry of Natural Compounds'      Year:'1994'      Volume:'30'      Page:'292'      DOI:''      Title:'SOME COMPONENTS OF THE SEED OIL OF Malva sylvestris'
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