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(8aR,10aR)-1-amino-4-(4-methyl-3-sulfoanilino)-9,10-dioxo-8a,10a-dihydroanthracene-2-sulfonic acid

Base Information
  • Chemical Name:(8aR,10aR)-1-amino-4-(4-methyl-3-sulfoanilino)-9,10-dioxo-8a,10a-dihydroanthracene-2-sulfonic acid
  • CAS No.:77847-19-9
  • Molecular Formula:C21H16 N2 O8 S2
  • Molecular Weight:490.5062
  • Hs Code.:
(8aR,10aR)-1-amino-4-(4-methyl-3-sulfoanilino)-9,10-dioxo-8a,10a-dihydroanthracene-2-sulfonic acid

Synonyms:

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Chemical Property of (8aR,10aR)-1-amino-4-(4-methyl-3-sulfoanilino)-9,10-dioxo-8a,10a-dihydroanthracene-2-sulfonic acid
Chemical Property:
  • Density:1.646g/cm3 
  • XLogP3:2.4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:10
  • Rotatable Bond Count:4
  • Exact Mass:490.05045788
  • Heavy Atom Count:33
  • Complexity:1090
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MSDS Files:
Useful:
  • Canonical SMILES:CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4C=CC=CC4C3=O)N)S(=O)(=O)O)S(=O)(=O)O
  • Isomeric SMILES:CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)[C@@H]4C=CC=C[C@H]4C3=O)N)S(=O)(=O)O)S(=O)(=O)O
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