4-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid

Base Information

• Chemical Name: 4-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid
• CAS No.: 65758-35-2
• Molecular Formula: C14H12O6S
• DSSTox Substance ID: DTXSID101148490
• Mol file: 65758-35-2.mol

Synonyms:DTXSID101148490;4-[(5,8-dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid;65758-35-2;4-[(1,4-Dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)thio]butanoic acid;Butanoic acid, 4-[(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)thio]-

Chemical Property of 4-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 308.03545927
• Heavy Atom Count: 21
• Complexity: 486

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)SCCCC(=O)O)O