Aristolochic acid IA

8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Also Known As: Aristolochic acid Ia|aristolochic acid III|Aristolochic acid C|starbld0023278|HY-N8500|TN8959|8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid|ARISTOLOCHIC ACID IA (REFERENCE GRADE)|J2.329.740J|Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-hydroxy-6-nitro-|8-Hydroxy-6-nitrophenanthro(3,4-d)-1,3-dioxolo-5-carboxylic acid|8-hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|8-Hydroxy-6-nitrophenanthro[4,3-d]-1,3-dioxole-5-carboxylic Acid|3,4-Methylenedioxy-8-hydroxy-10-nitrophenanthrene-1-carboxylic acid|8-HYDROXY-6-NITRO-2H-PHENANTHRO[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID|8-Hydroxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid

Molecular Formula	C16H9NO7
Molecular Weight	327.0379 g/mol
LogP	3.2
Topological Polar Surface Area	122.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	327.0379
Monoisotopic Mass	327.0379
Heavy Atoms	24
Complexity	535.0

Chemical Identifiers

CAS Number	4849-90-5
SMILES	C1OC2=C(O1)C3=C4C=CC=C(C4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O
InChIKey	LGZIKBZSCRORQN-UHFFFAOYSA-N