Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-
• CAS No.: 62592-39-6
• Molecular Formula: C12H15 N O6 S
• Molecular Weight: 301.3156
• DSSTox Substance ID: DTXSID1069586
• Nikkaji Number: J429.458K
• Wikidata: Q81996518
• Mol file: 62592-39-6.mol

Synonyms:62592-39-6;Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-;5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid;Acetoacet-p-cresidinesulfonic acid;4-[(1,3-DIOXYBUTYL)AMINO]-5-METHOXY-2-METHYL-BENZENESULFONIC ACID;Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-;SCHEMBL389605;DTXSID1069586;4-[(1,3-Dioxobutyl)amino]-5-methoxy-2-methylbenzenesulfonic acid

Chemical Property of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-

Chemical Property:

• PSA: 118.15000
• Density: 1.396g/cm³
• LogP: 2.32170
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 301.06200837
• Heavy Atom Count: 20
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

N-ACETOACET-P-CRESIDINE-O-SULFONIC ACID SODIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)CC(=O)C