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ScientificNameLabel
Ethyl 3-hydroxyhexanoate
PHCD compound ID : 1565
Chemical Names :
Ethyl 3-hydroxy hexanoate , Ethyl 3-hydroxyhexanoate
Molecular Formula : C8H16O3
Molecular Weight : 160.109944
More Details :
Names & Synonyms: ethyl 3-hydroxyhexanoate , 3-hydroxyhexanoic acid ethyl ester , ethyl 3-oxidanylhexanoate
Smiles: CCC[C@H](CC(=O)OCC)O
InChi : InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChi Key : InChIKey=LYRIITRHDCNUHV-SSDOTTSWSA-N
PubChem ID : 61293
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.479794
Hydrogen bond donor count : 1 Electric dipole moment : 3.513
XLogP : 1.172 VDW volume : 170.658557
Molecular weight : 160.109944 HOMO-LUMO gap : 11.305000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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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