9-Nitroxystearic acid

Base Information

• Chemical Name: 9-Nitroxystearic acid
• CAS No.: 50613-97-3
• Molecular Formula: C22H42 N O4
• Molecular Weight: 384.57318
• DSSTox Substance ID: DTXSID20964852
• Nikkaji Number: J697.949A
• Mol file: 50613-97-3.mol

Synonyms:9-doxylstearate;9-nitroxystearic acid

Chemical Property of 9-Nitroxystearic acid

Chemical Property:

• PSA: 49.77000
• LogP: 6.03290
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 384.31138382
• Heavy Atom Count: 27
• Complexity: 413

Purity/Quality:

9-DoxylstearicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1(N(C(CO1)(C)C)[O])CCCCCCCC(=O)O
• Uses: 9-Doxylstearic Acid is a spin labeled lipid.

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