Benzenesulfonic acid, 4-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-3-methyl-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-3-methyl-
• CAS No.: 63217-34-5
• Molecular Formula: C27H44N2O4S
• Molecular Weight: 492.7143
• DSSTox Substance ID: DTXSID1069792
• Nikkaji Number: J429.552H
• Wikidata: Q81996833
• Mol file: 63217-34-5.mol

Synonyms:63217-34-5;4-(3-heptadecyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)-3-methylbenzenesulfonic acid;Benzenesulfonic acid, 4-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-3-methyl-;DTXSID1069792;Benzenesulfonic acid, 3-methyl-4-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-;4-[(3-Heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol)-1-yl]-3-methylbenzenesulfonic acid

Chemical Property of Benzenesulfonic acid, 4-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-3-methyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -0.48±0.50(Predicted)
• Flash Point: °C
• PSA: 0.00000
• Density: 1.12g/cm³
• LogP: 4.01010
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 18
• Exact Mass: 492.30217906
• Heavy Atom Count: 34
• Complexity: 717

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)C

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