Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4-hydroxypyrimidine-5-carboxylate |
EINECS | N/A |
CAS No. | 4774-35-0 | Density | 1.399 g/cm3 |
PSA | 72.31000 | LogP | -0.03120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6N2O3 | Boiling Point | 256.9 °C at 760 mmHg |
Molecular Weight | 154.125 | Flash Point | 109.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Pyrimidinecarboxylicacid, 1,4-dihydro-4-oxo-, methyl ester (9CI);5-Pyrimidinecarboxylic acid, 4-hydroxy-,methyl ester (7CI,8CI); |
Article Data | 4 |
The Methyl 4-hydroxypyrimidine-5-carboxylate with cas registry number of 4774-35-0, belongs to the following product categories: (1)Pyrimidines; (2)various pyrimidines. It has the systematic name of methyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate. And its IUPAC name is methyl 6-oxo-1H-pyrimidine-5-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25; (7)ACD/KOC (pH 7.4): 20; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 67.76 Å2; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 36.66 cm3; (14)Molar Volume: 110.131 cm3; (15)Polarizability: 14.533×10-24cm3; (16)Surface Tension: 50.588 dyne/cm; (17)Enthalpy of Vaporization: 51.44 kJ/mol; (18)Vapour Pressure: 0.00931 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C1=C\N=C/NC1=O;
(2)InChI: InChI=1/C6H6N2O3/c1-11-6(10)4-2-7-3-8-5(4)9/h2-3H,1H3,(H,7,8,9);
(3)InChIKey: KFWOVXLWAGKILN-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C6H6N2O3/c1-11-6(10)4-2-7-3-8-5(4)9/h2-3H,1H3,(H,7,8,9);
(5)Std. InChIKey: KFWOVXLWAGKILN-UHFFFAOYSA-N