2-Phenylanthraquinone

• Catalog Number: ACM6485978
• Product Name: 2-Phenylanthraquinone
• CAS: 6485-97-8
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Phenylanthracene-9,10-dione
• IUPAC Name: 2-phenylanthracene-9,10-dione
• Molecular Weight: 284.31
• Molecular Formula: C20H12O2
• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
• InChI: InChI=1S/C20H12O2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H
• InChI Key: NTZCFGZBDDCNHI-UHFFFAOYSA-N
• Melting Point: 162 °C
• Appearance: White to Yellow to Green powder to crystal
• Complexity: 449
• Covalently-Bonded Unit Count: 1
• Exact Mass: 284.08373g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 22
• MDL Number: MFCD00559262
• Monoisotopic Mass: 284.08373g/mol
• NSC Number: 230302
• Rotatable Bond Count: 1
• XLogP3: 5.2