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ScientificNameLabel
Ethylparaben
PHCD compound ID : 3805
Chemical Names :
Ethylparaben
Molecular Formula : C9H10O3
Molecular Weight : 166.062994
More Details :
Names & Synonyms: ethyl 4-hydroxybenzoate , 4-hydroxybenzoic acid ethyl ester , ethyl 4-oxidanylbenzoate , ethylparaben
Smiles: CCOC(=O)c1ccc(cc1)O
InChi : InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChi Key : InChIKey=NUVBSKCKDOMJSU-UHFFFAOYSA-N
PubChem ID : 8434
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.612476
Hydrogen bond donor count : 1 Electric dipole moment : 1.438
XLogP : 1.012 VDW volume : 156.788707
Molecular weight : 166.062994 HOMO-LUMO gap : 9.105000
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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