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6-(4H-1,2,4-Triazol-4-Yl)Nicotinic Acid
[CAS# 281232-20-0]

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Identification
Name 6-(4H-1,2,4-Triazol-4-Yl)Nicotinic Acid
Synonyms 6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid; 6-(1H-1,2,4-Triazol-1-yl)nicotinicacid; 6-(4H-1,2,4-triazol-4-yl)pyridine-3-carboxylic acid
Molecular Structure CAS#: 281232-20-0, 6-(4H-1,2,4-Triazol-4-Yl)Nicotinic Acid
Molecular Formula C8H6N4O2
Molecular Weight 190.16
CAS Registry Number 281232-20-0
SMILES OC(=O)c1cnc(cc1)n2cnnc2
InChI 1S/C8H6N4O2/c13-8(14)6-1-2-7(9-3-6)12-4-10-11-5-12/h1-5H,(H,13,14)
InChIKey WYIKCPUHGCYKNZ-UHFFFAOYSA-N
Properties
Density 1.536g/cm3 (Cal.)
Boiling point 467.137°C at 760 mmHg (Cal.)
Flash point 236.316°C (Cal.)
Refractive index 1.724 (Cal.)
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