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ScientificNameLabel
hexanal dimethyl acetal
PHCD compound ID : 3021
Chemical Names :
hexanal dimethyl acetal
Molecular Formula : C8H18O2
Molecular Weight : 146.13068
More Details :
Names & Synonyms: 1,1-dimethoxyhexane
Smiles: CCCCCC(OC)OC
InChi : InChI=1S/C8H18O2/c1-4-5-6-7-8(9-2)10-3/h8H,4-7H2,1-3H3
InChi Key : InChIKey=ZQUJUCJLDXTKKW-UHFFFAOYSA-N
PubChem ID : 74137
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.030659
Hydrogen bond donor count : 0 Electric dipole moment : 2.428
XLogP : 2.492 VDW volume : 164.504789
Molecular weight : 146.13068 HOMO-LUMO gap : 12.291000
Herb list :
Refrences & Litretures:
  
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
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