Methyl 4-hydroxypyrimidine-5-carboxylate supplier

Name
4-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 4774-35-0
Article Data4
CAS DataBase
Density 1.399 g/cm³
Solubility
Melting Point
Formula C₆H₆N₂O₃
Boiling Point 256.9 °C at 760 mmHg
Molecular Weight 154.125
Flash Point 109.2 °C
Transport Information
Appearance
Safety
Risk Codes
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);
PSA 72.31000
LogP -0.03120

Methyl 4-hydroxypyrimidine-5-carboxylate Specification

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

Product Name

4-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER

Methyl 4-hydroxypyrimidine-5-carboxylate Specification

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