6-(4-Hydroxy-3-methyl-1H-pyrazol-1-YL)naphthalene-2-sulfonic acid

Base Information

• Chemical Name: 6-(4-Hydroxy-3-methyl-1H-pyrazol-1-YL)naphthalene-2-sulfonic acid
• CAS No.: 6357-97-7
• Molecular Formula: C14H12N2O4S
• Molecular Weight: 304.32108
• DSSTox Substance ID: DTXSID70699607
• Wikidata: Q82630585
• Mol file: 6357-97-7.mol

Synonyms:6357-97-7;6-(4-HYDROXY-3-METHYL-1H-PYRAZOL-1-YL)NAPHTHALENE-2-SULFONIC ACID;6-(4-hydroxy-3-methylpyrazol-1-yl)naphthalene-2-sulfonic acid;DTXSID70699607;2-Naphthalenesulfonic acid, 6-(3-methyl-5-oxo-2-pyrazolin-1-yl)-;2-Naphthalenesulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Chemical Property of 6-(4-Hydroxy-3-methyl-1H-pyrazol-1-YL)naphthalene-2-sulfonic acid

Chemical Property:

• PSA: 100.80000
• LogP: 3.36700
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 304.05177804
• Heavy Atom Count: 21
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1O)C2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O

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