Methyl 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoate

Base Information

• Chemical Name: Methyl 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoate
• CAS No.: 4113-95-5
• Molecular Formula: C13H12 N2 O4
• Molecular Weight: 260.2454
• NSC Number: 95268
• DSSTox Substance ID: DTXSID60294226
• Wikidata: Q82033405
• ChEMBL ID: CHEMBL1889443
• Mol file: 4113-95-5.mol

Synonyms:MLS002695288;4113-95-5;HMS3092M19;NSC95268;NCIOpen2_006445;CHEMBL1889443;DTXSID60294226;NSC-95268;AKOS005881236;SMR001561195

Chemical Property of Methyl 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoate

Chemical Property:

• Density: 1.327g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.07970687
• Heavy Atom Count: 19
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CN2C=CC(=O)NC2=O

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