3,5-Dinitrobenzoic acid

3,5-Dinitrobenzoic acid forms an adduct with 3,5-dimethylpyridine and the crystal structure of adduct has been studied at room temperature and 80K for both undeuterated and deuterated compounds. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms.

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Catalog Number CBB1112282
Molecular Formula (O2N)2C6H3CO2H
CAS# 99-34-3
Purity >99%
Inchi 1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
Inchi Key VYWYYJYRVSBHJQ-UHFFFAOYSA-N
SMILES OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
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