6,13-Pentacenequinone

• Catalog Number: ACM3029321
• Product Name: 6,13-Pentacenequinone
• CAS: 3029-32-1
• Category: Heterocyclic Organic Compound
• IUPAC Name: pentacene-6,13-dione
• Molecular Weight: 308.3g/mol
• Molecular Formula: C22H12O2
• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O
• InChI: InChI=1S/C22H12O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H
• InChI Key: UFCVADNIXDUEFZ-UHFFFAOYSA-N
• Complexity: 446
• Covalently-Bonded Unit Count: 1
• Exact Mass: 308.08373g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 24
• Monoisotopic Mass: 308.08373g/mol
• Rotatable Bond Count: 0
• XLogP3: 5.4