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ScientificNameLabel
2-butanol
PHCD compound ID : 2234
Chemical Names :
Butan-2-ol , 2-butanol
Molecular Formula : C4H10O1
Molecular Weight : 74.073165
More Details :
Names & Synonyms: butan-2-ol , 2-butanol
Smiles: CC[C@@H](O)C
InChi : InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1
InChi Key : InChIKey=BTANRVKWQNVYAZ-BYPYZUCNSA-N
PubChem ID : 6568
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.470616
Hydrogen bond donor count : 1 Electric dipole moment : 1.830
XLogP : 0.742 VDW volume : 86.530624
Molecular weight : 74.073165 HOMO-LUMO gap : 13.524000
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)'
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