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ScientificNameLabel
1-Acetoxy-2-propanol
PHCD compound ID : 4597
Chemical Names :
1-Acetoxy-2-propanol
Molecular Formula : C5H10O3
Molecular Weight : 118.062994
More Details :
Names & Synonyms: 2-hydroxypropyl acetate , acetic acid 2-hydroxypropyl ester , 2-oxidanylpropyl ethanoate
Smiles: C[C@H](COC(=O)C)O
InChi : InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3/t4-/m1/s1
InChi Key : InChIKey=PPPFYBPQAPISCT-SCSAIBSYSA-N
PubChem ID : 94182
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.750376
Hydrogen bond donor count : 1 Electric dipole moment : 3.573
XLogP : -0.008 VDW volume : 118.770603
Molecular weight : 118.062994 HOMO-LUMO gap : 11.817000
Herb list :
Refrences & Litretures:
  
711.      Journal:'Food Chemistry'      Year:'2001'      Volume:'74'      Page:'443'      DOI:''      Title:'Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry]'
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