2,3-Dimethylanthraquinone

• Catalog Number: ACM6531357
• Product Name: 2,3-Dimethylanthraquinone
• CAS: 6531-35-7
• Category: Heterocyclic Organic Compound
• IUPAC Name: 2,3-dimethylanthracene-9,10-dione
• Molecular Weight: 236.26g/mol
• Molecular Formula: C16H12O2
• Canonical SMILES: CC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C3C2=O
• InChI: InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3
• InChI Key: KIJPZYXCIHZVGP-UHFFFAOYSA-N
• Melting Point: 210.8 °C
• Complexity: 337
• Covalently-Bonded Unit Count: 1
• Exact Mass: 236.08373g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 236.08373g/mol
• NSC Number: 76612
• Rotatable Bond Count: 0
• XLogP3: 4.1