4,4-Bis(4-hydroxy-3-nitrophenyl)pentanoic acid

Base Information

• Chemical Name: 4,4-Bis(4-hydroxy-3-nitrophenyl)pentanoic acid
• CAS No.: 14601-82-2
• Molecular Formula: C17H16N2O8
• Molecular Weight: 376.3
• European Community (EC) Number: 654-186-9
• DSSTox Substance ID: DTXSID40397103
• Nikkaji Number: J1.339.914J
• Mol file: 14601-82-2.mol

Synonyms:4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid;14601-82-2;3,3'-Dinitrodiphenolic acid;SCHEMBL3242628;DTXSID40397103;gamma,gamma-BIS(4-HYDROXY-3-NITROPHENYL)VALERIC ACID;MFCD00024248;AKOS005100177;CS-0337196;4,4-bis(4-hydroxy-3-nitrophenyl)pentanoicacid;4,4-bis-(4-hydroxy-3-nitrophenyl)-valeric acid;7X-0843;SR-01000308147;SR-01000308147-1

Chemical Property of 4,4-Bis(4-hydroxy-3-nitrophenyl)pentanoic acid

Chemical Property:

• Vapor Pressure: 1.96E-12mmHg at 25°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 376.09066547
• Heavy Atom Count: 27
• Complexity: 534

Purity/Quality:

4,4-Bis(4-hydroxy-3-nitrophenyl)pentanoicAcid ^*data from reagent suppliers

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Useful:

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

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