(2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid

Base Information

• Chemical Name: (2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid
• CAS No.: 69391-09-9
• Deprecated CAS: 106573-76-6
• Molecular Formula: C13H12O6S
• Molecular Weight: 296.2958
• DSSTox Substance ID: DTXSID40910038
• Nikkaji Number: J1.487.070I

Synonyms:Desmethylnaproxen-6-O-sulfate;(2s)-2-[6-(sulfooxy)naphthalen-2-yl]propanoic acid;69391-09-9;2-Naphthaleneacetic acid, alpha-methyl-6-(sulfooxy)-, (S)-;desmethylnaproxen sulfate;O-desmethylnaproxen sulfate;6-desmethylnaproxen sulfate;DTXSID40910038;CHEBI:133458;2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid;(S)-2-[6-(Sulfooxy)-2-naphthyl]propionic acid;106573-76-6

Chemical Property of (2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.28000
• Density: 1.525g/cm³
• LogP: 3.29030
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 296.03545927
• Heavy Atom Count: 20
• Complexity: 454

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OS(=O)(=O)O)C(=O)O
• Isomeric SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OS(=O)(=O)O)C(=O)O

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