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ScientificNameLabel
Beta-Alanine
PHCD compound ID : 4705
Chemical Names :
Beta-Alanine
Molecular Formula : C3H7N1O2
Molecular Weight : 89.047678
More Details :
Names & Synonyms: 3-aminopropanoic acid , 3-azanylpropanoic acid , 3-aminopropionic acid
Smiles: NCCC(=O)O
InChi : InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChi Key : InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N
PubChem ID : 239
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.819152
Hydrogen bond donor count : 2 Electric dipole moment : 1.643
XLogP : -1.026 VDW volume : 86.385167
Molecular weight : 89.047678 HOMO-LUMO gap : 10.675000
Herb list :
Refrences & Litretures:
  
747.      Journal:'Plant Physiol'      Year:'1991'      Volume:'96'      Page:'1228'      DOI:''      Title:'Effects of Salt Stress on Amino Acid, Organic Acid, and Carbohydrate Composition of Roots, Bacteroids, and Cytosol of Alfalfa (Medicago sativa L.)'
785.      Journal:'J. Agric. Food Chem'      Year:'1967'      Volume:'15'      Page:'1040'      DOI:'10.1021/jf60154a024'      Title:'Mushroom ninhydrin-positive compounds. Amino acids, related compounds, and other nitrogenous substances found in cultivated mushroom, Agaricus campestris'
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