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Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-

Base Information
  • Chemical Name:Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
  • CAS No.:57414-03-6
  • Molecular Formula:C12H8O4S
  • Molecular Weight:248.259
  • Hs Code.:
  • DSSTox Substance ID:DTXSID80415052
  • Wikidata:Q82224179
  • Pharos Ligand ID:YRSFZ91YX8XS
  • ChEMBL ID:CHEMBL189010
Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-

Synonyms:CHEMBL189010;57414-03-6;Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-;SCHEMBL18191031;DTXSID80415052;BDBM50504348;2-[(1,4-dioxo-2-naphthyl)sulfanyl]acetic acid;(1,4-Dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-acetic acid

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Chemical Property of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
Chemical Property:
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:248.01432991
  • Heavy Atom Count:17
  • Complexity:399
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCC(=O)O
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