5-Methylpyrimidine-4-carboxylic acid

Base Information

• Chemical Name: 5-Methylpyrimidine-4-carboxylic acid
• CAS No.: 933683-35-3
• Molecular Formula: C6H6 N2 O2
• Molecular Weight: 138.12400
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50696952
• Wikidata: Q82626743
• Mol file: 933683-35-3.mol

Synonyms:5-METHYLPYRIMIDINE-4-CARBOXYLIC ACID;933683-35-3;4-Pyrimidinecarboxylicacid, 5-methyl-;5-methyl-4-pyrimidinecarboxylic acid;MFCD11977462;SCHEMBL3561461;DTXSID50696952;AMY32260;4-Pyrimidinecarboxylicacid,5-methyl-;AKOS005265062;CS-W005526;DS-7169;SB57454;SY114951;5-METHYLPYRIMIDINE-4-CARBOXYLICACID;EN300-153924;F52630;A844540;F1967-5685

Chemical Property of 5-Methylpyrimidine-4-carboxylic acid

Chemical Property:

• Boiling Point: 316.6±22.0 °C(Predicted)
• PKA: 2.21±0.37(Predicted)
• PSA: 63.08000
• Density: 1.319±0.06 g/cm3(Predicted)
• LogP: 0.48320
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-4-pyrimidinecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=CN=C1C(=O)O