3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid

Base Information

• Chemical Name: 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid
• CAS No.: 79817-53-1
• Molecular Formula: C10H13 N O6 S
• Molecular Weight: 275.27832
• European Community (EC) Number: 279-284-5
• UNII: CYJ7HC7LTE
• DSSTox Substance ID: DTXSID601000762
• Nikkaji Number: J320.172D
• Wikidata: Q82994485
• Mol file: 79817-53-1.mol

Synonyms:79817-53-1;CYJ7HC7LTE;3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid;UNII-CYJ7HC7LTE;EINECS 279-284-5;3-(4-Methyl-2-nitrophenoxy)-1-propanesulfonic acid;3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acid;SCHEMBL12781087;DTXSID601000762;1-PROPANESULFONIC ACID, 3-(4-METHYL-2-NITROPHENOXY)-

Chemical Property of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid

Chemical Property:

• PSA: 117.80000
• Density: 1.425g/cm³
• LogP: 3.16390
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 275.04635831
• Heavy Atom Count: 18
• Complexity: 371

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OCCCS(=O)(=O)O)[N+](=O)[O-]

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