Aristolochic acids
[CAS# 61117-05-3]

Identification

• Name: Aristolochic acids
• Synonyms: 8-Methoxy-6-Nitro-Naphtho[2,1-G][1,3]Benzodioxole-5-Carboxylic Acid; 8-Methoxy-6-Nitro-5-Naphtho[2,1-G][1,3]Benzodioxolecarboxylic Acid; Aristolochic Acid I
• Molecular Formula: C₁₇H₁₁NO₇
• Molecular Weight: 341.28
• CAS Registry Number: 61117-05-3
• SMILES: C1=CC=C(C2=CC(=C4C(=C12)C3=C(OCO3)C=C4C(O)=O)[N+](=O)[O-])OC
• InChI: 1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
• InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 615.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 326.0±31.5°C (Cal.)

References

• (1): Y. Gong, Y. Lu and Q. Zheng. 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid, Acta Cryst. (2007). E63, o4836