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ScientificNameLabel
2-Hydroxy-2-methyl-but-3-enyl-2-methyl-2-butenoate
PHCD compound ID : 4473
Chemical Names :
2-Hydroxy-2-methyl-but-3-enyl-2-methyl-2-butenoate
Molecular Formula : C10H16O3
Molecular Weight : 184.109944
More Details :
Names & Synonyms: (2-hydroxy-2-methyl-but-3-enyl) (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid (2-hydroxy-2-methylbut-3-enyl) ester , (2-hydroxy-2-methylbut-3-enyl) (E)-2-methylbut-2-enoate , (2-methyl-2-oxidanyl-but-3-enyl) (E)-2-methylbut-2-enoate , (E)-2-methylbut-2-enoic acid (2-hydroxy-2-methyl-but-3-enyl) ester
Smiles: C/C=C(/C(=O)OC[C@](C=C)(O)C)\C
InChi : InChI=1S/C10H16O3/c1-5-8(3)9(11)13-7-10(4,12)6-2/h5-6,12H,2,7H2,1,3-4H3/b8-5+/t10-/m0/s1
InChi Key : InChIKey=QQSQGJPTALGCLH-YVFTVSHDSA-N
PubChem ID : 5367751
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.137319
Hydrogen bond donor count : 1 Electric dipole moment : 2.770
XLogP : 1.357 VDW volume : 199.977609
Molecular weight : 184.109944 HOMO-LUMO gap : 10.093000
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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