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ScientificNameLabel
5-hydroxymethyl furoic acid
PHCD compound ID : 4153
Chemical Names :
5-hydroxymethyl furoic acid
Molecular Formula : C6H6O4
Molecular Weight : 142.026609
More Details :
Names & Synonyms: 5-(hydroxymethyl)furan-2-carboxylic acid , 5-(hydroxymethyl)-2-furancarboxylic acid , 5-methylol-2-furoic acid
Smiles: OCc1ccc(o1)C(=O)O
InChi : InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
InChi Key : InChIKey=PCSKKIUURRTAEM-UHFFFAOYSA-N
PubChem ID : 80642
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.990440
Hydrogen bond donor count : 2 Electric dipole moment : 1.191
XLogP : -0.464 VDW volume : 116.327438
Molecular weight : 142.026609 HOMO-LUMO gap : 9.178000
Herb list :
Refrences & Litretures:
  
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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