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Structure

Aristolochic acid

CAS
67123-64-2
Catalog Number
ACM67123642
Category
Other Products
Molecular Weight
341.27
Molecular Formula
C17H11NO7

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Specification

Synonyms
8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID;ARISTOLOCHIC ACID I;ARISTOLOCHIC ACID A
IUPAC Name
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid;6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Canonical SMILES
COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O.COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O.C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]
InChI Key
FGGYSLIDOXIJNP-UHFFFAOYSA-N
Melting Point
260-265ºC
Exact Mass
345.04700
Hazard Statements
T: Toxic;
H-Bond Acceptor
20
H-Bond Donor
3
Safety Description
7-35-45
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