5-(4-Nitrophenyl)cyclohexane-1,3-dione

• CAS: 55579-75-4
• Catalog Number: ACM55579754-1
• Category: Other Products
• Molecular Weight: 233.22
• Molecular Formula: C12H11NO4
• Synonyms: 1,3-Cyclohexanedione, 5-(4-nitrophenyl)-
• IUPAC Name: 5-(4-nitrophenyl)cyclohexane-1,3-dione
• Canonical SMILES: C1C(CC(=O)CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
• InChI: LQMGHIOOSOQCQA-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H11NO4/c14-11-5-9(6-12(15)7-11)8-1-3-10(4-2-8)13(16)17/h1-4,9H,5-7H2
• Exact Mass: 233.06900
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Isomeric SMILES: C1C(CC(=O)CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]