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ScientificNameLabel
ethyl succinate
PHCD compound ID : 653
Chemical Names :
diethyl succinate , ethyl succinate
Molecular Formula : C8H14O4
Molecular Weight : 174.089209
More Details :
Names & Synonyms: diethyl butanedioate , butanedioic acid diethyl ester , succinic acid diethyl ester
Smiles: CCOC(=O)CCC(=O)OCC
InChi : InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
InChi Key : InChIKey=DKMROQRQHGEIOW-UHFFFAOYSA-N
PubChem ID : 31249
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.919697
Hydrogen bond donor count : 0 Electric dipole moment : 0.102
XLogP : 0.778 VDW volume : 176.812325
Molecular weight : 174.089209 HOMO-LUMO gap : 11.898000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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