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ScientificNameLabel
Croweacin
PHCD compound ID : 3108
Chemical Names :
Croweacin
Molecular Formula : C11H12O3
Molecular Weight : 192.078644
More Details :
Names & Synonyms: 5-allyl-4-methoxy-1,3-benzodioxole , 4-methoxy-5-prop-2-enyl-1,3-benzodioxole
Smiles: C=CCc1ccc2c(c1OC)OCO2
InChi : InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3
InChi Key : InChIKey=VGXJTTXSNPYTSK-UHFFFAOYSA-N
PubChem ID : 5316141
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.829069
Hydrogen bond donor count : 0 Electric dipole moment : 1.758
XLogP : 2.5 VDW volume : 179.024217
Molecular weight : 192.078644 HOMO-LUMO gap : 8.922000
Herb list :
Refrences & Litretures:
  
411.      Journal:'Plant Foods Hum Nutr'      Year:'2008'      Volume:'63'      Page:'183'      DOI:'10.1007/s11130-008-0091-y'      Title:'Antioxidant Activity and Chemical Characterization of Essential Oil of Bunium persicum'
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