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Structure

Aristolochic acid ia

CAS
38965-71-8
Catalog Number
ACM38965718
Category
Other Products
Molecular Weight
327.25
Molecular Formula
C16H9NO7

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Specification

Synonyms
8-Hydroxy-6-nitrophenanthro[4,3-d]-1,3-dioxole-5-carboxylic Acid;
IUPAC Name
8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Canonical SMILES
C1OC2=C(O1)C3=C4C=CC=C(C4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O
InChI Key
LGZIKBZSCRORQN-UHFFFAOYSA-N
Boiling Point
658.7ºC at 760 mmHg
Flash Point
352.1ºC
Density
1.707g/cm³
Exact Mass
327.03800
H-Bond Acceptor
7
H-Bond Donor
2
Packing Group
III
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