5-Methyl-1H-1,2,3-triazole-4-carboxylic acid

Base Information

• Chemical Name: 5-Methyl-1H-1,2,3-triazole-4-carboxylic acid
• CAS No.: 832737-27-6
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.1
• European Community (EC) Number: 842-673-0
• DSSTox Substance ID: DTXSID301003248
• Wikidata: Q82997719
• Mol file: 832737-27-6.mol

Synonyms:5-Methyl-1H-1,2,3-triazole-4-carboxylic acid;832737-27-6;89166-02-9;5-methyl-2H-1,2,3-triazole-4-carboxylic acid;5-methyl-2H-triazole-4-carboxylic acid;5-Methyl-2H-[1,2,3]triazole-4-carboxylic acid;4-METHYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID;MFCD04968763;2H-[1,2,3]Triazole-4-carboxylic acid, 5-methyl-;SCHEMBL1930145;SCHEMBL10063339;DTXSID301003248;KUC106908N;BBL030286;STK349453;4-carboxy-5-methyl-1,2,3-triazole;AKOS000307614;AKOS011332753;AB76464;KSC-20-054;VS-09719;CS-0147322;CS-0368409;FT-0754713;EN300-83691;5-Methyl-1H-1,2,3-triazole-4-carboxylicacid;5-methyl-2 h-[1,2,3]triazole-4-carboxylic acid;A861297;F8881-5016;Z931395754;5-Methyl-2H-[1,2,3]triazole-4-carboxylic acid, AldrichCPR

Chemical Property of 5-Methyl-1H-1,2,3-triazole-4-carboxylic acid

Chemical Property:

• PSA: 78.87000
• LogP: -0.18870
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 127.038176411
• Heavy Atom Count: 9
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-2H-1,2,3-triazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNN=C1C(=O)O