5-[(1H-Imidazol-1-yl)methyl]furan-2-carboxylic acid

Base Information

• Chemical Name: 5-[(1H-Imidazol-1-yl)methyl]furan-2-carboxylic acid
• CAS No.: 876709-30-7
• Molecular Formula: C9H8 N2 O3
• Molecular Weight: 192.17
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10390040
• Wikidata: Q82186422
• ChEMBL ID: CHEMBL5198324
• Mol file: 876709-30-7.mol

Synonyms:876709-30-7;5-[(1H-Imidazol-1-yl)methyl]furan-2-carboxylic acid;5-(imidazol-1-ylmethyl)furan-2-carboxylic acid;5-(1H-imidazol-1-ylmethyl)-2-furoic acid;5-((1H-Imidazol-1-yl)methyl)furan-2-carboxylic acid;5-(1H-Imidazol-1-ylmethyl)-2-furoic acid, HCl;5-(1H-imidazol-1-ylmethyl)furan-2-carboxylic acid;5-Imidazol-1-ylmethyl-furan-2-carboxylic acid;CHEMBL5198324;DTXSID10390040;BBL017995;STK503212;AKOS000111384;SB61784;PD145380;VS-06643;5-(1H-imidazol-1-ylmethyl)-2-furoicacid;BB 0220694;CS-0322170;5-Imidazol-1-ylmethylfuran-2-carboxylic acid;5-((1H-Imidazol-1-yl)methyl)furan-2-carboxylicacid;5-(1H-Imidazol-1-ylmethyl)-2-furoic acid, AldrichCPR;HLP

Chemical Property of 5-[(1H-Imidazol-1-yl)methyl]furan-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.31E-08mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 442.5°C at 760 mmHg
• Flash Point: 221.4°C
• PSA: 68.26000
• Density: 1.4g/cm³
• LogP: 1.22260
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.05349212
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

98%min ^*data from raw suppliers

5-(1H-imidazol-1-ylmethyl)-2-furoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)CC2=CC=C(O2)C(=O)O