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Dimethoxybicyclo[3.3.1]nona-2,4-dione
PHCD compound ID : 5251
Chemical Names :
Dimethoxybicyclo[3.3.1]nona-2,4-dione
Molecular Formula : C11H16O4
Molecular Weight : 212.104859
More Details :
Names & Synonyms: 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione , 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-quinone
Smiles: COC1(OC)[C@@H]2CCC[C@H]1C(=O)CC2=O
InChi : InChI=1S/C11H16O4/c1-14-11(15-2)7-4-3-5-8(11)10(13)6-9(7)12/h7-8H,3-6H2,1-2H3/t7-,8+
InChi Key : InChIKey=CFBRRDQMCNWXLH-OCAPTIKFSA-N
PubChem ID : 537288
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.229195
Hydrogen bond donor count : 0 Electric dipole moment : 3.684
XLogP : -0.296 VDW volume : 203.987362
Molecular weight : 212.104859 HOMO-LUMO gap : 10.791000
Herb list :
Refrences & Litretures:
  
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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