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1,2,5-Oxadiazole-3-carboxylicacid, 4-amino- (78350-50-2)

Identification
Name:1,2,5-Oxadiazole-3-carboxylicacid, 4-amino-
Synonyms:Furazancarboxylicacid, amino-;4-Amino-1,2,5-oxadiazole-3-carboxylic acid;4-Amino-3-furazancarboxylic acid;
CAS:78350-50-2
Molecular Formula: C3H3N3O3
Molecular Weight: 129.07
InChI: InChI=1/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
Molecular Structure: (C3H3N3O3) Furazancarboxylicacid, amino-;4-Amino-1,2,5-oxadiazole-3-carboxylic acid;4-Amino-3-furazancarboxylic...
Properties
Flash Point: 186.9°C
Boiling Point: 385.4°C at 760 mmHg
Density:1.756g/cm3
Refractive index:1.622
Specification:

The 3-Aminofurazan-4-carboxylic acid, with the CAS registry number 78350-50-2, is also known as 4-Aminofurazan-3-carboxylic acid and 5-Aminofurazane-4-carboxylic acid. It belongs to the product categories of Carboxylicacid; Aminoacid; Carboxylic Acids; Oxadiazoles & Thiadiazoles; Carboxylic Acids; Oxadiazoles & Thiadiazoles. This chemical's molecular formula is C3H3N3O3 and formula weight is 129.07. What's more, both its IUPAC name and systematic name are the same which is called 4-Amino-1,2,5-oxadiazole-3-carboxylic acid.

Physical properties about this chemical are: (1)XLogP3-AA: -0.2; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 6; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 2; (6)Topological Polar Surface Area: 102; (7)Heavy Atom Count: 9; (8)Formal Charge: 0; (9)Complexity: 128; (10)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=NON=C1N)C(=O)O
(2)InChI: InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
(3)InChIKey: YOXIXLVJYMCCIB-UHFFFAOYSA-N

Flash Point: 186.9°C
Safety Data
Hazard Symbols Xi: Irritant
 

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