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1,2,4-Triazine-3-carboxylic acid

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1,2,4-Triazine-3-carboxylic acid

EINECS
CAS No. 6498-04-0 Density 1.532 g/cm3
Solubility Melting Point
Formula C4H3N3O2 Boiling Point 402.6 °C at 760 mmHg
Molecular Weight 125.09 Flash Point 197.3 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 6498-04-0 (1,2,4-Triazine-3-carboxylic acid) Hazard Symbols
Synonyms

as-Triazine-3-carboxylicacid (7CI,8CI);

 

1,2,4-Triazine-3-carboxylic acid Specification

The 1,2,4-Triazine-3-carboxylic acid wit hthe CAS number 6498-04-0 is also called as-Triazine-3-carboxylicacid (7CI,8CI). Its molecular formula is C4H3N3O2. This chemical belongs to the following product categories: (1)Heterocycles series; (2)Carboxylic Acids; (3)Carboxylic Acids; (4)Ring Systems.

The properties of the 1,2,4-Triazine-3-carboxylic acid are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 75.97 Å2; (6)Index of Refraction: 1.587; (7)Molar Refractivity: 27.45 cm3; (8)Molar Volume: 81.6 cm3; (9)Polarizability: 10.88×10-24cm3; (10)Surface Tension: 90.5 dyne/cm; (11)Enthalpy of Vaporization: 68.94 kJ/mol; (12)Vapour Pressure: 3.33×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnnc(n1)C(=O)O
(2)InChI: InChI=1/C4H3N3O2/c8-4(9)3-5-1-2-6-7-3/h1-2H,(H,8,9)
(3)InChIKey: OKVCKNCXOXSKPO-UHFFFAOYAO

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