Aristolochic acid A

CAS	313-67-7
Structure
Synonyms	8-Methoxy-6-nitro-phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid
IUPAC Name	8-Methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Weight	341.27
Molecular Formula	C17H11NO7
Canonical SMILES	COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
InChI	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)
InChI Key	BBFQZRXNYIEMAW-UHFFFAOYSA-N
Melting Point	260 °C
Purity	98%
Density	1.316 g/ml
pKa	2.99±0.20
Appearance	Yellow powder