3-(6-Methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)propanoic acid

Base Information

• Chemical Name: 3-(6-Methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)propanoic acid
• CAS No.: 134478-16-3
• Molecular Formula: C13H12N4O2
• DSSTox Substance ID: DTXSID30568704
• Wikidata: Q82455033
• Mol file: 134478-16-3.mol

Synonyms:134478-16-3;DTXSID30568704;3-(6-Methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)propanoic acid

Chemical Property of 3-(6-Methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)propanoic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 256.09602564
• Heavy Atom Count: 19
• Complexity: 352

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=NN2C(=NN=C2C3=CC=CC=C13)CCC(=O)O

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