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ScientificNameLabel
2-hydroxy-3-pentanone
PHCD compound ID : 2163
Chemical Names :
2-hydroxy-3-pentanone
Molecular Formula : C5H10O2
Molecular Weight : 102.06808
More Details :
Names & Synonyms: 2-hydroxypentan-3-one , 2-hydroxy-3-pentanone , 2-oxidanylpentan-3-one
Smiles: CCC(=O)[C@@H](O)C
InChi : InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m0/s1
InChi Key : InChIKey=QMXCHEVUAIPIRM-BYPYZUCNSA-N
PubChem ID : 521790
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.039129
Hydrogen bond donor count : 1 Electric dipole moment : 3.124
XLogP : -0.073 VDW volume : 109.980377
Molecular weight : 102.06808 HOMO-LUMO gap : 10.604000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
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