4-Pyridinecarboxylicacid, 1,2-dihydro-2-oxo-, methyl ester supplier

Name
Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate
EINECS
CAS No. 89937-77-9
Article Data25
CAS DataBase
Density 1.263g/cm³
Solubility
Melting Point 211-212 °C
Formula C₇H₇NO₃
Boiling Point 342.4 °C at 760 mmHg
Molecular Weight 153.137
Flash Point 160.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Isonicotinicacid, 1,2-dihydro-2-oxo-, methyl ester (6CI);Isonicotinic acid, 2-hydroxy-,methyl ester (7CI);2-Hydroxyisonicotinic acid methyl ester;4-Methoxycarbonyl-2-pyridone;Methyl 2-oxo-1,2-dihydro-4-pyridinecarboxylate;NSC 132887;
PSA 59.16000
LogP 0.16150

4-Pyridinecarboxylicacid, 1,2-dihydro-2-oxo-, methyl ester Specification

The 4-Pyridinecarboxylicacid, 1,2-dihydro-2-oxo-, methyl ester, with CAS registry number 89937-77-9, belongs to the following product categories: (1)Carboxylic Ester; (2)Blocks; (3)Pyridines. It has the systematic name of methyl 2-oxo-1,2-dihydropyridine-4-carboxylate. And the chemical formula of this chemical is C₇H₇NO₃.

Physical properties of 4-Pyridinecarboxylicacid, 1,2-dihydro-2-oxo-, methyl ester: (1)ACD/LogP: -1.04; (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): 14.81; (6)ACD/KOC (pH 7.4): 13.66; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 36.69 cm³; (13)Molar Volume: 121.1 cm³; (14)Polarizability: 14.54×10^-24cm³; (15)Surface Tension: 43.4 dyne/cm; (16)Density: 1.263 g/cm³; (17)Flash Point: 160.9 °C; (18)Enthalpy of Vaporization: 58.62 kJ/mol; (19)Boiling Point: 342.4 °C at 760 mmHg; (20)Vapour Pressure: 7.53E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C=1\C=C/NC(=O)C=1
(2)InChI: InChI=1/C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4H,1H3,(H,8,9)
(3)InChIKey: DATHOCDTDDUESC-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4H,1H3,(H,8,9)
(5)Std. InChIKey: DATHOCDTDDUESC-UHFFFAOYSA-N

Product Name

Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate

4-Pyridinecarboxylicacid, 1,2-dihydro-2-oxo-, methyl ester Specification

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