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ScientificNameLabel
octacosanoic acid
PHCD compound ID : 1377
Chemical Names :
octacosanoic acid
Molecular Formula : C28H56O2
Molecular Weight : 424.428031
More Details :
Names & Synonyms: octacosanoic acid , montanic acid
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChi : InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
InChi Key : InChIKey=UTOPWMOLSKOLTQ-UHFFFAOYSA-N
PubChem ID : 10470
Rotatable bond count : 26 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.595666
Hydrogen bond donor count : 1 Electric dipole moment : 2.055
XLogP : 14.398 VDW volume : 507.788023
Molecular weight : 424.428031 HOMO-LUMO gap : 11.558000
Herb list :
Refrences & Litretures:
  
146.      Journal:'Phytochem. Anal'      Year:'2006'      Volume:'17'      Page:'36'      DOI:'10.1002/pca.879'      Title:'Chemical Constituents of Rice (Oryza sativa) Hulls and their Herbicidal Activity against Duckweed (Lemna paucicostata Hegelm 381)'
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