4-Methylpyrimidine-5-carboxylic acid supplier

Name
5-Pyrimidinecarboxylicacid,4-methyl-
EINECS
CAS No. 157335-92-7
Article Data2
CAS DataBase
Density 1.319 g/cm³
Solubility
Melting Point
Formula C₆H₆N₂O₂
Boiling Point 316.6 °C at 760 mmHg
Molecular Weight 138.126
Flash Point 145.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-5-pyrimidinecarboxylicacid;4-Methylpyrimidine-5-carboxylic acid;
PSA 63.08000
LogP 0.48320

4-Methylpyrimidine-5-carboxylic acid Specification

The 4-Methylpyrimidine-5-carboxylic acid with the cas number 157335-92-7 is also called 5-Pyrimidinecarboxylic acid, 4-methyl-. The molecular formula is C₆H₆N₂O₂. This chemical belongs to the following product categories: (1)CARBOXYLICACID; (2)PYRIMIDINE.

The properties of the chemical are: (1)ACD/LogP: 0.34; (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: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.08 Å²; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 34.19 cm³; (13)Molar Volume: 104.6 cm³; (14)Polarizability: 13.55×10^-24cm³; (15)Surface Tension: 63.3 dyne/cm; (16)Enthalpy of Vaporization: 58.9 kJ/mol; (17)Vapour Pressure: 0.000171 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ncncc1C(=O)O
(2)InChI: InChI=1/C6H6N2O2/c1-4-5(6(9)10)2-7-3-8-4/h2-3H,1H3,(H,9,10)
(3)InChIKey: MGRYVXAAUYHOSI-UHFFFAOYAT

Product Name

5-Pyrimidinecarboxylicacid,4-methyl-

4-Methylpyrimidine-5-carboxylic acid Specification

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