Ccris 4083

Base Information

• Chemical Name: Ccris 4083
• CAS No.: 60262-87-5
• Molecular Formula: C26H20 O7
• Molecular Weight: 444.43
• DSSTox Substance ID: DTXSID10975674
• Mol file: 60262-87-5.mol

Synonyms:Benzo(a)pyrene-9-glucuronide;60262-87-5;CCRIS 4083;BENZO[A]PYRENE-9-GLUCURONIDE;Benzo(a)pyrenyl-9-glucuronide;DTXSID10975674;Benzo[pqr]tetraphen-9-yl hexopyranosiduronic acid

Chemical Property of Ccris 4083

Chemical Property:

• Vapor Pressure: 5.56E-26mmHg at 25°C
• Boiling Point: 785.3°C at 760 mmHg
• Flash Point: 275.6°C
• PSA: 116.45000
• Density: 1.605g/cm³
• LogP: 3.00820
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 444.12090297
• Heavy Atom Count: 33
• Complexity: 744

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C5C=C(C=CC5=CC(=C43)C=C2)OC6C(C(C(C(O6)C(=O)O)O)O)O
• Isomeric SMILES: C1=CC2=C3C(=C1)C=CC4=C5C=C(C=CC5=CC(=C43)C=C2)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

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