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ScientificNameLabel
1,2-Bensenedicarboxilic acid,mono(2-ethyl)ester
PHCD compound ID : 1732
Chemical Names :
1,2-Bensenedicarboxilic acid,mono(2-ethyl)ester
Molecular Formula : C10H10O4
Molecular Weight : 194.057909
More Details :
Names & Synonyms:
Smiles: CCOC(=O)c1ccccc1C(=O)O
InChi : InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChi Key : InChIKey=YWWHKOHZGJFMIE-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.473586
Hydrogen bond donor count : 1 Electric dipole moment : 3.013
XLogP : 1.048 VDW volume : 180.23846
Molecular weight : 194.057909 HOMO-LUMO gap : 9.515000
Herb list :
Refrences & Litretures:
  
195.      Journal:'Int J Pharm Pharm Sci'      Year:'2014'      Volume:'6'      Page:'60'      DOI:''      Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
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