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ScientificNameLabel
2-furoic acid
PHCD compound ID : 2356
Chemical Names :
2-Furancarboxylic acid , 2-furoic acid
Molecular Formula : C5H4O3
Molecular Weight : 112.016044
More Details :
Names & Synonyms: furan-2-carboxylic acid , 2-furancarboxylic acid , 2-furoic acid
Smiles: OC(=O)c1ccco1
InChi : InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChi Key : InChIKey=SMNDYUVBFMFKNZ-UHFFFAOYSA-N
PubChem ID : 6919
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.085677
Hydrogen bond donor count : 1 Electric dipole moment : 2.299
XLogP : 0.337 VDW volume : 90.241227
Molecular weight : 112.016044 HOMO-LUMO gap : 9.386000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
579.      Journal:'Int J Diabetol Vasc Dis Res'      Year:'2015'      Volume:'3'      Page:'99'      DOI:'10.19070/2328-353X-1500020'      Title:'Pharmacological Properties of Capparis spinosa Linn'
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