Oxonic acid supplier | CasNO.937-13-3

Name
Oxonic Acid
EINECS
CAS No. 937-13-3
Article Data3
CAS DataBase
Density 2.19 g/cm³
Solubility
Melting Point 261-261 °C
Formula C₄H₃N₃O₄
Boiling Point 771.4 °C at 760 mmHg
Molecular Weight 157.086
Flash Point 420.4 °C
Transport Information
Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Oxonic acid;Oteracil;1,4,5,6-Tetrahydro-4,6-dioxo-s-triazine-2-carboxylic acid;UNII-5VT6420TIG;1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-;AC1L1IJD;
PSA 116.17000
LogP -1.43130

Oxonic acid Specification

The 1,3,5-Triazine-2-carboxylicacid, 1,4,5,6-tetrahydro-4,6-dioxo- with CAS registry number of 937-13-3 is also known as Oxonic acid. The IUPAC name is 4,6-Dioxo-1H-1,3,5-triazine-2-carboxylic acid. In addition, the formula is C₄H₃N₃O₄ and the molecular weight is 157.08.

Physical properties about 1,3,5-Triazine-2-carboxylicacid, 1,4,5,6-tetrahydro-4,6-dioxo- are: (1)ACD/LogP: -2.58; (2)ACD/LogD (pH 5.5): -6.33; (3)ACD/LogD (pH 7.4): -6.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.813; (12)Molar Refractivity: 30.99 cm³; (13)Molar Volume: 71.6 cm³; (14)Surface Tension: 117.8 dyne/cm; (15)Density: 2.19 g/cm³; (16)Flash Point: 420.4 °C; (17)Enthalpy of Vaporization: 117.81 kJ/mol; (18)Boiling Point: 771.4 °C at 760 mmHg; (19)Vapour Pressure: 4.88E-25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1(=NC(=O)NC(=O)N1)C(=O)O
2. InChI: InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)
3. InChIKey: RYYCJUAHISIHTL-UHFFFAOYSA-N

Product Name

Oxonic Acid

Oxonic acid Specification

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