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ScientificNameLabel
Naproxen-CO2
PHCD compound ID : 3793
Chemical Names :
Naproxen-CO2
Molecular Formula : C14H14O3
Molecular Weight : 230.094294
More Details :
Names & Synonyms: (2S)-2-(6-methoxy-2-naphthyl)propanoic acid , (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid , (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid , (2S)-2-(6-methoxy-2-naphthyl)propionic acid
Smiles: COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C
InChi : InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChi Key : InChIKey=CMWTZPSULFXXJA-VIFPVBQESA-N
PubChem ID : 156391
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.589718
Hydrogen bond donor count : 1 Electric dipole moment : 1.166
XLogP : 1.794 VDW volume : 214.739254
Molecular weight : 230.094294 HOMO-LUMO gap : 7.973000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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