1,2-Benzanthraquinone

• CAS: 2498-66-0
• Catalog Number: ACM2498660
• Category: Other Products
• Molecular Weight: 258.3g/mol
• Molecular Formula: C18H10O2
• IUPAC Name: benzo[a]anthracene-7,12-dione
• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
• InChI: InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H
• InChI Key: LHMRXAIRPKSGDE-UHFFFAOYSA-N
• Melting Point: 170.0 °C
• Complexity: 427
• Covalently-Bonded Unit Count: 1
• EC Number: 219-693-8
• Exact Mass: 258.06808g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 20
• LogP: 4.4 (LogP)
• Monoisotopic Mass: 258.06808g/mol
• NSC Number: 7961
• Rotatable Bond Count: 0
• UNII: BL89U5YZBK
• XLogP3: 4.1