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ScientificNameLabel
Benzyl-2methylbutyrate
PHCD compound ID : 756
Chemical Names :
Benzyl-2methylbutyrate , Benzyl 2-methyl butyrate
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms: benzyl 2-methylbutanoate , 2-methylbutanoic acid (phenylmethyl) ester , (phenylmethyl) 2-methylbutanoate , 2-methylbutyric acid benzyl ester
Smiles: CC[C@H](C(=O)OCc1ccccc1)C
InChi : InChI=1S/C12H16O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1
InChi Key : InChIKey=PTKDIBUNVYIPOD-SNVBAGLBSA-N
PubChem ID : 91849
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.720879
Hydrogen bond donor count : 0 Electric dipole moment : 1.739
XLogP : 2.448 VDW volume : 199.886434
Molecular weight : 192.11503 HOMO-LUMO gap : 9.758000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
663.      Journal:'Journal of Medicinal Plants'      Year:'2008'      Volume:'7'      Page:'58'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Artemisia annua L. Essential Oil from Iran'
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