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ScientificNameLabel
2-Methylpropanoic acid
PHCD compound ID : 668
Chemical Names :
2-methylpropanoic(isobutyric)acid , 2-Methylpropanoic acid
Molecular Formula : C4H8O2
Molecular Weight : 88.052429
More Details :
Names & Synonyms: 2-methylpropanoic acid , isobutyric acid
Smiles: CC(C(=O)O)C
InChi : InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChi Key : InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-N
PubChem ID : 6590
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.986655
Hydrogen bond donor count : 1 Electric dipole moment : 1.845
XLogP : 0.466 VDW volume : 92.684392
Molecular weight : 88.052429 HOMO-LUMO gap : 11.955000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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