4H-1-Benzopyran-8-acetic acid, 3-nitro-2-(3-nitrophenyl)-4-oxo-

Base Information

• Chemical Name: 4H-1-Benzopyran-8-acetic acid, 3-nitro-2-(3-nitrophenyl)-4-oxo-
• CAS No.: 596108-63-3
• Molecular Formula: C17H10N2O8
• DSSTox Substance ID: DTXSID20446249
• Wikidata: Q82264857
• ChEMBL ID: CHEMBL434248

Synonyms:596108-63-3;2-(3-Nitro-2-(3-nitrophenyl)-4-oxo-4H-chromen-8-yl)acetic acid;2-[3-nitro-2-(3-nitrophenyl)-4-oxo-4H-chromen-8-yl]acetic acid;4H-1-Benzopyran-8-acetic acid, 3-nitro-2-(3-nitrophenyl)-4-oxo-;CHEMBL434248;DTXSID20446249

Chemical Property of 4H-1-Benzopyran-8-acetic acid, 3-nitro-2-(3-nitrophenyl)-4-oxo-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 370.04371528
• Heavy Atom Count: 27
• Complexity: 692

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)[N+](=O)[O-]

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