5-(Hydroxymethyl)furan-3-carboxylic acid

Base Information

• Chemical Name: 5-(Hydroxymethyl)furan-3-carboxylic acid
• CAS No.: 246178-75-6
• Molecular Formula: C6H6O4
• Molecular Weight: 142.10900
• European Community (EC) Number: 833-303-9
• DSSTox Substance ID: DTXSID80572634
• Metabolomics Workbench ID: 103531
• Nikkaji Number: J1.818.211D
• Wikidata: Q77567036
• Mol file: 246178-75-6.mol

Synonyms:5-(Hydroxymethyl)furan-3-carboxylic acid;246178-75-6;5-hydroxymethylfuran-3-carboxylic acid;3-Furancarboxylic acid, 5-(hydroxymethyl)-;SCHEMBL3124525;DTXSID80572634;CHEBI:218793;AKOS011551079;AT17501;5-(Hydroxymethyl)furan-3-carboxylicacid;5-(hydroxymethyl)uran-3-carboxylic acid;CS-0309020;EN300-152046;Z970074936

Chemical Property of 5-(Hydroxymethyl)furan-3-carboxylic acid

Chemical Property:

• PSA: 70.67000
• LogP: 0.47010
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 142.02660867
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

5-(Hydroxymethyl)furan-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC=C1C(=O)O)CO