2-(4-Methylphenyl)pyrimidine-5-carboxylic acid

Base Information

• Chemical Name: 2-(4-Methylphenyl)pyrimidine-5-carboxylic acid
• CAS No.: 65586-74-5
• Molecular Formula: C12H10N2O2
• Molecular Weight: 214.22000
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90589773
• Wikidata: Q82483347
• Mol file: 65586-74-5.mol

Synonyms:65586-74-5;2-(4-methylphenyl)pyrimidine-5-carboxylic acid;2-(p-Tolyl)pyrimidine-5-carboxylic acid;DTXSID90589773;AKOS000283999;SB59917;2-(p-Tolyl)pyrimidine-5-carboxylicacid

Chemical Property of 2-(4-Methylphenyl)pyrimidine-5-carboxylic acid

Chemical Property:

• Boiling Point: 313.7±35.0 °C(Predicted)
• PKA: 2.77±0.10(Predicted)
• PSA: 63.08000
• Density: 1.260±0.06 g/cm3(Predicted)
• LogP: 2.15020
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

2-(p-Tolyl)pyrimidine-5-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

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