3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid
• CAS No.: 842971-05-5
• Molecular Formula: C7H11 N3 O2
• Molecular Weight: 169.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70360264
• Wikidata: Q82141909
• Mol file: 842971-05-5.mol

Synonyms:842971-05-5;3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid;3-(dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid;3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoic acid;3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-propionic acid;MFCD05668680;BAS 09717458;DTXSID70360264;5-Phenylpyridine-2-carboxylic?acid;BBL010698;STK387014;AKOS000270524;VS-02626;BB 0219140;EN300-41366;3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoicacid;F3083-0330;Z274553586;WSY

Chemical Property of 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid

Chemical Property:

• PSA: 68.01000
• LogP: 0.36960
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%Min ^*data from raw suppliers

3-(dimethyl-1H-1,2,4-triazol-1-yl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=N1)C)CCC(=O)O