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Home > Encyclopedia > PubChem ID: 46829453

PubChem ID: 46829453

PubChem ID: 46829453 structure

PubChem ID: 46829453 

structure
  • CAS No:

    75522-94-0

  • Formula:

    C48H37N9O19S4.3Na

  • Chemical Name:

    PubChem ID: 46829453

  • Synonyms:

    Benzoic acid,2-[2-[2-amino-5-hydroxy-6-[2-[4′-[2-[1-hydroxy-8-[[(4-methylphenyl)sulfonyl]amino]-3,6-disulfo-2-naphthalenyl]diazenyl]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-5-nitro-,sodium salt (1:3);Benzoic acid,2-[[2-amino-5-hydroxy-6-[[4′-[[1-hydroxy-8-[[(4-methylphenyl)sulfonyl]amino]-3,6-disulfo-2-naphthalenyl]azo]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]azo]-7-sulfo-1-naphthalenyl]azo]-5-nitro-,trisodium salt

PubChem ID: 46829453 Basic Attributes

1238.06177

1237.054687

278-236-0

Characteristics

494

15.41480

Safety Information

|Danger|H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]|P201, P202, P281, P308+P313, P405, and P501

Computed Properties

Molecular Weight:1238.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:27
Rotatable Bond Count:13
Exact Mass:1237.0546874
Monoisotopic Mass:1237.0546874
Topological Polar Surface Area:494
Heavy Atom Count:83
Complexity:2700
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

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