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Benzoic acid.2.5-dihydroxy-.ethyl ester
PHCD compound ID : 3778
Chemical Names :
Benzoic acid.2.5-dihydroxy-.ethyl ester
Molecular Formula : C9H10O4
Molecular Weight : 182.057909
More Details :
Names & Synonyms: ethyl 2,5-dihydroxybenzoate , 2,5-dihydroxybenzoic acid ethyl ester , ethyl 2,5-bis(oxidanyl)benzoate
Smiles: CCOC(=O)c1cc(O)ccc1O
InChi : InChI=1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3
InChi Key : InChIKey=GCUPAENRSCPHBM-UHFFFAOYSA-N
PubChem ID : 77548
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.016513
Hydrogen bond donor count : 2 Electric dipole moment : 1.989
XLogP : 1.36 VDW volume : 165.578934
Molecular weight : 182.057909 HOMO-LUMO gap : 8.376000
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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