2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid

Base Information

• Chemical Name: 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
• CAS No.: 899710-25-9
• Molecular Formula: C13H15NO4
• Molecular Weight: 249.26
• DSSTox Substance ID: DTXSID701162428
• Mol file: 899710-25-9.mol

Synonyms:2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid;899710-25-9;2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid;4H-1,4-Benzoxazine-4-acetic acid, alpha-ethyl-2,3-dihydro-2-methyl-3-oxo-;DTXSID701162428;STK504387;AKOS000265804;AKOS016345540;EU-0033345;SR-01000103867;SR-01000103867-1;alpha-Ethyl-2,3-dihydro-2-methyl-3-oxo-4H-1,4-benzoxazine-4-acetic acid

Chemical Property of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid

Chemical Property:

• PKA: 3.62±0.10(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.10010796
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C(=O)O)N1C2=CC=CC=C2OC(C1=O)C

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