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ScientificNameLabel
n-tritriacont-4,12-diene
PHCD compound ID : 1376
Chemical Names :
n-tritriacont-4,12-diene
Molecular Formula : C33H64
Molecular Weight : 460.500802
More Details :
Names & Synonyms:
Smiles: CCCCCCCCCCCCCCCCCCCC/C=C/CCCCCC/C=C/CCC
InChi : InChI=1S/C33H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,23,25H,3-6,8,10-22,24,26-33H2,1-2H3/b9-7+,25-23+
InChi Key : InChIKey=LFEYRTZGCKOXLQ-AYTYGWRUSA-N
PubChem ID :
Rotatable bond count : 28 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 9.470082
Hydrogen bond donor count : 0 Electric dipole moment : 0.051
XLogP : 18.085 VDW volume : 574.051034
Molecular weight : 460.500802 HOMO-LUMO gap : 10.722000
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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