2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid

Base Information

• Chemical Name: 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid
• CAS No.: 6201-74-7
• Molecular Formula: C11H10N2O7S
• Molecular Weight: 314.2713
• DSSTox Substance ID: DTXSID00365242
• Wikidata: Q82149746
• Mol file: 6201-74-7.mol

Synonyms:6201-74-7;1-(2-HYDROXY-3-CARBOXY-5-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE;2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid;2-Hydroxy-3-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-5-sulfobenzoic acid;SCHEMBL11440212;DTXSID00365242;Salicylic acid, 3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-5-sulfo-;Benzoic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-hydroxy-5-sulfo-

Chemical Property of 2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-sulfobenzoic acid

Chemical Property:

• PSA: 158.07000
• LogP: 1.20530
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 314.02087184
• Heavy Atom Count: 21
• Complexity: 594

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1)C2=CC(=CC(=C2O)C(=O)O)S(=O)(=O)O

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