1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-

Base Information

• Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-
• CAS No.: 89-27-0
• Molecular Formula: C10H7 N3 O5
• Molecular Weight: 249.17968
• European Community (EC) Number: 201-893-1
• NSC Number: 9585
• UNII: 4W8CKH79CD
• DSSTox Substance ID: DTXSID5058983
• Nikkaji Number: J24.583F
• Wikidata: Q81988628
• Mol file: 89-27-0.mol

Synonyms:89-27-0;1-(3-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid;1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-;4W8CKH79CD;4,5-Dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid;NSC 9585;NSC-9585;EINECS 201-893-1;2-Pyrazoline-3-carboxylic acid, 1-(m-nitrophenyl)-5-oxo-;NSC9585;UNII-4W8CKH79CD;DTXSID5058983;SCHEMBL15304543;C10H7N3O5;AKOS010648462;1-(3-Nitrophenyl)-5-oxo-2-pyrazoline-3-carboxylic acid;1H-Pyrazole-3-carboxylic acid,5-dihydro-1-(3-nitrophenyl)-5-oxo-;4,5-dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazol-3-carboxylsyre

Chemical Property of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-

Chemical Property:

• Vapor Pressure: 1.56E-09mmHg at 25°C
• Boiling Point: 467.3°C at 760 mmHg
• Flash Point: 236.4°C
• PSA: 115.79000
• Density: 1.66g/cm³
• LogP: 0.79590
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 249.03857033
• Heavy Atom Count: 18
• Complexity: 428

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NN(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

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