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(3-Nitro-1H-1,2,4-Triazol-5-Yl)Acetic Acid
[CAS# 173167-32-3]

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Identification
Name (3-Nitro-1H-1,2,4-Triazol-5-Yl)Acetic Acid
Synonyms (5-nitro-1H-1,2,4-triazol-3-yl)acetic acid; 1-Carboxymethyl-3-nitro-1,2,4-triazole; 2-(5-nitro-1H-1,2,4-triazol-3-yl)acetic acid
Molecular Structure CAS#: 173167-32-3, (3-Nitro-1H-1,2,4-Triazol-5-Yl)Acetic Acid
Molecular Formula C4H4N4O4
Molecular Weight 172.10
CAS Registry Number 173167-32-3
SMILES O=C(O)Cc1nc(nn1)[N+]([O-])=O
InChI 1S/C4H4N4O4/c9-3(10)1-2-5-4(7-6-2)8(11)12/h1H2,(H,9,10)(H,5,6,7)
InChIKey PCLPZHBFAXIPQV-UHFFFAOYSA-N
Properties
Density 1.841g/cm3 (Cal.)
Boiling point 595.733°C at 760 mmHg (Cal.)
Flash point 314.088°C (Cal.)
Refractive index 1.66 (Cal.)
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