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ScientificNameLabel
3-Hydroxyoctanoic acid
PHCD compound ID : 2240
Chemical Names :
3-Hydroxyoctanoic acid
Molecular Formula : C8H16O3
Molecular Weight : 160.109944
More Details :
Names & Synonyms: 3-hydroxyoctanoic acid , 3-oxidanyloctanoic acid , 3-hydroxycaprylic acid
Smiles: CCCCC[C@@H](CC(=O)O)O
InChi : InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChi Key : InChIKey=NDPLAKGOSZHTPH-ZETCQYMHSA-N
PubChem ID : 26613
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.651060
Hydrogen bond donor count : 2 Electric dipole moment : 2.593
XLogP : 1.566 VDW volume : 170.658557
Molecular weight : 160.109944 HOMO-LUMO gap : 11.270000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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