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ScientificNameLabel
3-pentanol
PHCD compound ID : 2237
Chemical Names :
Pentan-3-ol , 3-pentanol
Molecular Formula : C5H12O1
Molecular Weight : 88.088815
More Details :
Names & Synonyms: pentan-3-ol , 3-pentanol
Smiles: CCC(CC)O
InChi : InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
InChi Key : InChIKey=AQIXEPGDORPWBJ-UHFFFAOYSA-N
PubChem ID : 11428
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.389091
Hydrogen bond donor count : 1 Electric dipole moment : 1.791
XLogP : 1.1 VDW volume : 103.826609
Molecular weight : 88.088815 HOMO-LUMO gap : 13.499000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
400.      Journal:'LWT - Food Science and Technology'      Year:'2008'      Volume:'41'      Page:'2017'      DOI:'10.1016/j.lwt.2007.12.002'      Title:'Volatile compounds in uninoculated and inoculated table olives with Lactobacillus plantarum (Olea europaea L., cv. Moresca and Kalamata)'
401.      Journal:'Food Chemistry'      Year:'2008'      Volume:'107'      Page:'1522'      DOI:'org/10.1016/j.foodchem.2007.10.008'      Title:'Volatile compounds in table olives (Olea EuropaeaL., Nocellara del Belice cultivar)'
587.      Journal:'Leffingwell Reports'      Year:'2015'      Volume:'7'      Page:'1'      DOI:''      Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
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