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ScientificNameLabel
trans-Isocroweacin
PHCD compound ID : 5091
Chemical Names :
trans-Isocroweacin
Molecular Formula : C11H12O3
Molecular Weight : 192.078644
More Details :
Names & Synonyms: 4-methoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole , 4-methoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
Smiles: C/C=C/c1ccc2c(c1OC)OCO2
InChi : InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3-6H,7H2,1-2H3/b4-3+
InChi Key : InChIKey=KLOOULZVSJNLAD-ONEGZZNKSA-N
PubChem ID : 14601153
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.572880
Hydrogen bond donor count : 0 Electric dipole moment : 1.208
XLogP : 2.631 VDW volume : 179.024217
Molecular weight : 192.078644 HOMO-LUMO gap : 8.487000
Herb list :
Refrences & Litretures:
  
796.      Journal:'Journal of Food Science'      Year:'2005'      Volume:'70'      Page:'M208'      DOI:'10.1111/j.1365-2621.2005.tb07190.x'      Title:'Chemical Constituents, Antimicrobial Investigations, and Antioxidative Potentials of Anethum graveolens L. Essential Oil and Acetone Extract: Part 52'
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