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Octanoic acid,phenylmethyl ester
PHCD compound ID : 5135
Chemical Names :
Octanoic acid,phenylmethyl ester
Molecular Formula : C15H22O2
Molecular Weight : 234.16198
More Details :
Names & Synonyms: benzyl octanoate , octanoic acid (phenylmethyl) ester , (phenylmethyl) octanoate , caprylic acid benzyl ester
Smiles: CCCCCCCC(=O)OCc1ccccc1
InChi : InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChi Key : InChIKey=MWQWCHLIPMDVLS-UHFFFAOYSA-N
PubChem ID : 82511
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.791755
Hydrogen bond donor count : 0 Electric dipole moment : 1.962
XLogP : 4.431 VDW volume : 251.774388
Molecular weight : 234.16198 HOMO-LUMO gap : 9.726000
Herb list :
Refrences & Litretures:
  
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
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