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ScientificNameLabel
fumarate
PHCD compound ID : 705
Chemical Names :
fumarate
Molecular Formula : C4H2O4
Molecular Weight : 113.995309
More Details :
Names & Synonyms: (E)-but-2-enedioate , (E)-2-butenedioate , fumarate
Smiles: [O-]C(=O)/C=C/C(=O)[O-]
InChi : InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+
InChi Key : InChIKey=VZCYOOQTPOCHFL-OWOJBTEDSA-L
PubChem ID : 5460307
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 1.152507
Hydrogen bond donor count : 0 Electric dipole moment : 0.000
XLogP : -1.378 VDW volume : 102.355469
Molecular weight : 113.995309 HOMO-LUMO gap : 9.536000
Herb list :
Refrences & Litretures:
  
46.      Journal:'J. Agric. Food Chem'      Year:'2006'      Volume:'54'      Page:'8301'      DOI:'10.1021/jf0615451'      Title:'Metabolite Profiling of Wheat Grains (Triticum aestivum L.) from Organic and Conventional Agriculture'
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.)'
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