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Aristolochic acid Ia

Aristolochic acid Ia structure

Aristolochic acid Ia 

structure
  • CAS No:

    38965-71-8

  • Formula:

    C16H9NO7

  • Chemical Name:

    Aristolochic acid Ia

  • Synonyms:

    Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid,8-hydroxy-6-nitro-;8-Hydroxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid;Aristolochic acid Ia

Aristolochic acid Ia Basic Attributes

327.24516

327.25

DTXSID60192258

2932999099

Characteristics

121.81000

3.55690

1.707g/cm3

658.7ºC at 760 mmHg

352.1ºC

1.82

Safety Information

III

6.1(b)

2811

Aristolochic acid Ia Use and Manufacturing

A metabolite of carcinogenic Aristolochic acids (AAs).

Computed Properties

Molecular Weight:327.24
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:327.03790163
Monoisotopic Mass:327.03790163
Topological Polar Surface Area:122
Heavy Atom Count:24
Complexity:535
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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