4,5-Pyrimidinedicarboxylic acid (9CI) supplier

Name
4,5-Pyrimidinedicarboxylic acid (9CI)
EINECS
CAS No. 54001-63-7
Article Data2
CAS DataBase
Density 1.665 g/cm³
Solubility
Melting Point
Formula C₆H₄N₂O₄
Boiling Point 454.8 °C at 760 mmHg
Molecular Weight 168.10696
Flash Point 228.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrimidine-4,5-dicarboxylic acid;
PSA 100.38000
LogP -0.12700

4,5-Pyrimidinedicarboxylic acid (9CI) Specification

The 4, 5-Pyrimidinedicarboxylic acid (9CI), with the CAS registry number 54001-63-7, is also known as 4, 5-Pyrimidinedicarboxylic acid. It belongs to the product categories of Pyrimidine; Pharmacetical. This chemical's molecular formula is C₆H₄N₂O₄ and molecular weight is 168.10696. What's more, its IUPAC name is Pyrimidine-4, 5-dicarboxylic acid.

Physical properties about 4, 5-Pyrimidinedicarboxylic acid (9CI) are: (1)ACD/LogP: -1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.38 Å²; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 36.29 cm³; (13)Molar Volume: 100.9 cm³; (14)Polarizability: 14.38×10^-24 cm³; (15)Surface Tension: 100.7 dyne/cm; (16)Density: 1.665 g/cm³; (17)Flash Point: 228.8 °C; (18)Enthalpy of Vaporization: 75.28 kJ/mol; (19)Boiling Point: 454.8 °C at 760 mmHg; (20)Vapour Pressure: 4.63E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(ncnc1)C(=O)O
(2) InChI: InChI=1/C6H4N2O4/c9-5(10)3-1-7-2-8-4(3)6(11)12/h1-2H,(H,9,10)(H,11,12)
(3) InChIKey: HZMKWGOYWYBPRV-UHFFFAOYAN

Product Name

4,5-Pyrimidinedicarboxylic acid (9CI)

4,5-Pyrimidinedicarboxylic acid (9CI) Specification

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