5-(Benzyloxy)-2-diazonio-1-methoxy-3-oxohepta-1,6-dien-1-olate

Base Information

• Chemical Name: 5-(Benzyloxy)-2-diazonio-1-methoxy-3-oxohepta-1,6-dien-1-olate
• CAS No.: 62344-25-6
• Molecular Formula: C15H16N2O4
• DSSTox Substance ID: DTXSID50708600

Synonyms:62344-25-6;SCHEMBL11604651;DTXSID50708600;LLORXUFUWDYCGQ-UHFFFAOYSA-N;5-(Benzyloxy)-2-diazonio-1-methoxy-3-oxohepta-1,6-dien-1-olate;5-benzyloxy-2-diazo-3-oxo-6-heptenoic acid methyl ester

Chemical Property of 5-(Benzyloxy)-2-diazonio-1-methoxy-3-oxohepta-1,6-dien-1-olate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 288.11100700
• Heavy Atom Count: 21
• Complexity: 435

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=[N+]=[N-])C(=O)CC(C=C)OCC1=CC=CC=C1

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