Anthrarobin

Base Information

• Chemical Name: Anthrarobin
• CAS No.: 577-33-3
• Molecular Formula: C₁₄H₁₀O₃
• Molecular Weight: 226.232
• European Community (EC) Number: 209-410-6
• NSC Number: 60015
• UNII: E0T985Y674
• DSSTox Substance ID: DTXSID20206401
• Nikkaji Number: J1.626H
• Wikidata: Q27117172
• Metabolomics Workbench ID: 55604
• ChEMBL ID: CHEMBL144924
• Mol file: 577-33-3.mol

Synonyms:3,4-dihydroxy-9-anthrone;anthrarobin

Chemical Property of Anthrarobin

Chemical Property:

• Vapor Pressure: 9.16E-12mmHg at 25°C
• Melting Point: 218oC (dec.)(lit.)
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 528°C at 760 mmHg
• PKA: 9.26±0.30(Predicted)
• Flash Point: 267°C
• PSA: 60.69000
• Density: 1.479g/cm³
• LogP: 3.10980
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 226.062994177
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Anthrarobin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C(=C2O)C=CC(=C3O)O
• Uses: Anthrarobin is a substituted polycyclic aromatic hydrocarbon.

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