(E)-3-[3-[(E)-2-carboxyethenyl]-5-nitrophenyl]prop-2-enoic acid

Base Information

• Chemical Name: (E)-3-[3-[(E)-2-carboxyethenyl]-5-nitrophenyl]prop-2-enoic acid
• CAS No.: 36308-37-9
• Molecular Formula: C₁₂H₉NO₆
• Molecular Weight: 263.207
• DSSTox Substance ID: DTXSID601191987
• Nikkaji Number: J1.798.685F

Synonyms:36308-37-9;DTXSID601191987;2-Propenoic acid, 3,3'-(5-nitro-1,3-phenylene)bis-, (E,E)-

Chemical Property of (E)-3-[3-[(E)-2-carboxyethenyl]-5-nitrophenyl]prop-2-enoic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 263.04298701
• Heavy Atom Count: 19
• Complexity: 390

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C=CC(=O)O)[N+](=O)[O-])C=CC(=O)O
• Isomeric SMILES: C1=C(C=C(C=C1/C=C/C(=O)O)[N+](=O)[O-])/C=C/C(=O)O

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