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ScientificNameLabel
Sterculic
PHCD compound ID : 1828
Chemical Names :
Sterculic
Molecular Formula : C19H34O2
Molecular Weight : 294.25588
More Details :
Names & Synonyms: 8-(2-octylcyclopropen-1-yl)octanoic acid , 8-(2-octyl-1-cyclopropenyl)octanoic acid , 8-(2-octylcyclopropen-1-yl)caprylic acid
Smiles: CCCCCCCCC1=C(C1)CCCCCCCC(=O)O
InChi : InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)
InChi Key : InChIKey=PQRKPYLNZGDCFH-UHFFFAOYSA-N
PubChem ID : 12921
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.160501
Hydrogen bond donor count : 1 Electric dipole moment : 1.219
XLogP : 7.386 VDW volume : 337.131244
Molecular weight : 294.25588 HOMO-LUMO gap : 10.075000
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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