7-[[3-Methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Base Information

• Chemical Name: 7-[[3-Methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid
• CAS No.: 115811-26-2
• Molecular Weight: 531.54
• DSSTox Substance ID: DTXSID801038953
• Nikkaji Number: J32.563E
• Mol file: 115811-26-2.mol

Synonyms:115811-26-2;7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid;DTXSID801038953;7-[3-Methoxy-4-(sulfomethylamino)phenylazo]-1,3-naphthalenedisulfonic acid;1,3-Naphthalenedisulfonic acid, 7-[2-[3-methoxy-4-[(sulfomethyl)amino]phenyl]diazenyl]-

Chemical Property of 7-[[3-Methoxy-4-(sulfomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Chemical Property:

• PKA: -1.19±0.50(Predicted)
• Density: 1.72±0.1 g/cm3(Predicted)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 531.00760727
• Heavy Atom Count: 34
• Complexity: 1050

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• Canonical SMILES: COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NCS(=O)(=O)O

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