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calvatic acid Structure

calvatic acid

Chemical Properties

Boiling point 399.1±44.0 °C(Predicted)
Density  1.39±0.1 g/cm3(Predicted)
form  solid
InChI 1S/C8H5N3O3/c9-5-10-11(14)7-3-1-6(2-4-7)8(12)13/h1-4H,(H,12,13)
InChIKey LDRFVNKBORCKQS-UHFFFAOYSA-N
SMILES [N+](=NC#N)([O-])c1ccc(cc1)C(=O)O

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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