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ScientificNameLabel
Ethyl vanillate
PHCD compound ID : 1641
Chemical Names :
Ethyl vanillate
Molecular Formula : C10H12O4
Molecular Weight : 196.073559
More Details :
Names & Synonyms: ethyl 4-hydroxy-3-methoxy-benzoate , 4-hydroxy-3-methoxybenzoic acid ethyl ester , ethyl 4-hydroxy-3-methoxybenzoate , ethyl 3-methoxy-4-oxidanyl-benzoate , 4-hydroxy-3-methoxy-benzoic acid ethyl ester
Smiles: CCOC(=O)c1ccc(c(c1)OC)O
InChi : InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
InChi Key : InChIKey=MWAYRGBWOVHDDZ-UHFFFAOYSA-N
PubChem ID : 12038
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.916615
Hydrogen bond donor count : 1 Electric dipole moment : 4.179
XLogP : 1.252 VDW volume : 182.874918
Molecular weight : 196.073559 HOMO-LUMO gap : 8.389000
Herb list :
Refrences & Litretures:
  
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
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