Benz[a]anthracene-7-acetic Acid-13C2

• CAT Number: R058152
• CAS Number: 1794781-73-9
• Molecular Formula: C20H14O2
• Molecular Weight: 288.315
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: 2-benzo[a]anthracen-7-ylacetic acid
• InChI: InChI=1S/C20H14O2/c21-20(22)12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11H,12H2,(H,21,22)/i12+1,20+1
• InChIKey: MSKUXZMLVIOBEL-HCYVGEAASA-N
• SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)[13CH2][13C](=O)O

Benz[a]anthracene-7-acetic Acid-13C2 is a carbon-13 labeled derivative of benz[a]anthracene-7-acetic acid, a polycyclic aromatic hydrocarbon with an acetic acid functional group. The carbon-13 labeling enables detailed studies of its metabolic pathways and interaction dynamics using techniques like NMR and mass spectrometry. This compound is crucial in environmental and toxicological research, as it helps in understanding the behavior and effects of polycyclic aromatic hydrocarbons in biological systems. Additionally, it is useful in the synthesis of complex organic molecules, aiding in the development of new materials and pharmaceutical agents through detailed structural and metabolic investigations.