1,1-Dimethylethyl 3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indazole-1-carboxylate

Base Information

• Chemical Name: 1,1-Dimethylethyl 3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indazole-1-carboxylate
• CAS No.: 290368-05-7
• Molecular Formula: C₁₆H₁₈N₂O₄
• Molecular Weight: 302.33
• DSSTox Substance ID: DTXSID301131401
• Nikkaji Number: J1.338.043K

Synonyms:SCHEMBL16791413;DTXSID301131401;290368-05-7;1,1-Dimethylethyl 3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indazole-1-carboxylate

Chemical Property of 1,1-Dimethylethyl 3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indazole-1-carboxylate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 302.12665706
• Heavy Atom Count: 22
• Complexity: 456

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)C=CC(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)/C=C/C(=O)OC

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