2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid

Base Information

• Chemical Name: 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid
• CAS No.: 5681-88-9
• Molecular Formula: C20H19N3O8
• Molecular Weight: 429.3802
• DSSTox Substance ID: DTXSID20416604
• Wikidata: Q82225981

Synonyms:5681-88-9;2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid;AC1NSM8K;DTXSID20416604;SR-01000216859;SR-01000216859-1

Chemical Property of 2-[[(E)-2-benzamido-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]acetic acid

Chemical Property:

• Vapor Pressure: 4.69E-29mmHg at 25°C
• Boiling Point: 828.1°Cat760mmHg
• Flash Point: 454.6°C
• Density: 1.392g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 429.11721457
• Heavy Atom Count: 31
• Complexity: 699

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C=C(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC
• Isomeric SMILES: COC1=C(C=C(C(=C1)/C=C(\C(=O)NCC(=O)O)/NC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

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