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ScientificNameLabel
2,3-Butanediol
PHCD compound ID : 569
Chemical Names :
2,3-Butanediol , butane-2,3-diol , 2,3–Butanediol
Molecular Formula : C4H10O2
Molecular Weight : 90.06808
More Details :
Names & Synonyms: butane-2,3-diol
Smiles: C[C@@H]([C@@H](O)C)O
InChi : InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChi Key : InChIKey=OWBTYPJTUOEWEK-IMJSIDKUSA-N
PubChem ID : 262
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.312419
Hydrogen bond donor count : 2 Electric dipole moment : 2.299
XLogP : -0.288 VDW volume : 95.320851
Molecular weight : 90.06808 HOMO-LUMO gap : 12.864000
Herb list :
Refrences & Litretures:
  
34.      Journal:'J Sci Food Agric'      Year:'2014'      Volume:'94'      Page:'2179'      DOI:'10.1002/jsfa.6533'      Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
317.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8310'      DOI:'10.1021/jf0580869'      Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
635.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'566'      Page:'172'      DOI:'10.1016/j.aca.2006.03.014'      Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'
703.      Journal:'BioMed Research International'      Year:'2013'      Volume:'2013'      Page:'1'      DOI:'10.1155/2013/696835'      Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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