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ScientificNameLabel
Methyl allyl angelate
PHCD compound ID : 4466
Chemical Names :
Methyl allyl angelate
Molecular Formula : C9H14O2
Molecular Weight : 154.09938
More Details :
Names & Synonyms: 2-methylallyl (Z)-2-methylbut-2-enoate , (Z)-2-methyl-2-butenoic acid 2-methylprop-2-enyl ester , 2-methylprop-2-enyl (Z)-2-methylbut-2-enoate , (Z)-2-methylbut-2-enoic acid 2-methylallyl ester
Smiles: C/C=C(\C(=O)OCC(=C)C)/C
InChi : InChI=1S/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h5H,2,6H2,1,3-4H3/b8-5-
InChi Key : InChIKey=PNRCWIZNCBKLMH-YVMONPNESA-N
PubChem ID : 6437425
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.899578
Hydrogen bond donor count : 0 Electric dipole moment : 2.652
XLogP : 1.704 VDW volume : 173.891398
Molecular weight : 154.09938 HOMO-LUMO gap : 10.161000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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