1-Naphthalenesulfonic acid, 7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-

Base Information

• Chemical Name: 1-Naphthalenesulfonic acid, 7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-
• CAS No.: 75476-93-6
• Molecular Formula: C14H12 N2 O5 S
• Molecular Weight: 320.32048
• European Community (EC) Number: 278-218-2
• UNII: 4D224KJ2GA
• DSSTox Substance ID: DTXSID9072812
• Nikkaji Number: J307.575C
• Wikidata: Q82001047
• Mol file: 75476-93-6.mol

Synonyms:75476-93-6;1-Naphthalenesulfonic acid, 7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-;EINECS 278-218-2;7-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-1-naphthalenesulfonic acid;7-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxynaphthalene-1-sulphonic acid;4D224KJ2GA;DTXSID9072812;7-[(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol)-1-yl]-3-hydroxy-1-naphthalenesulfonic acid

Chemical Property of 1-Naphthalenesulfonic acid, 7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-

Chemical Property:

• PSA: 115.65000
• Density: 1.6g/cm³
• LogP: 2.48610
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 320.04669266
• Heavy Atom Count: 22
• Complexity: 597

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(=O)C1)C2=CC3=C(C=C(C=C3C=C2)O)S(=O)(=O)O