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98996-29-3

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Basic Information
CAS No.: 98996-29-3
Name: 1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 98996-29-3 (1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester)
Formula: C9H11NO3
Molecular Weight: 181.191
Synonyms: Isonicotinicacid, 1,2-dihydro-1-methyl-2-oxo-, ethyl ester (6CI);NSC 21089;
Density: 1.186 g/cm3
Boiling Point: 319.2 °C at 760 mmHg
Flash Point: 146.8 °C
PSA: 48.30000
LogP: 0.56200
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  • Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate

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    98996-29-3

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  • 1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester

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    98996-29-3

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Specification

The 4-Pyridinecarboxylicacid, 1,2-dihydro-1-methyl-2-oxo-, ethyl ester, with the CAS registry number 98996-29-3, is also known as 1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester. This chemical's molecular formula is C9H11NO3 and molecular weight is 181.18854. What's more, its systematic name is Ethyl 1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylate.

Physical properties about 4-Pyridinecarboxylicacid, 1,2-dihydro-1-methyl-2-oxo-, ethyl ester are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 46.25 cm3; (9)Molar Volume: 152.7 cm3; (10)Polarizability: 18.33×10-24 cm3; (11)Surface Tension: 42.2 dyne/cm; (12)Density: 1.186 g/cm3; (13)Flash Point: 146.8 °C; (14)Enthalpy of Vaporization: 56.07 kJ/mol; (15)Boiling Point: 319.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000345 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(/C(=O)OCC)\C=C/N1C
(2) InChI: InChI=1/C9H11NO3/c1-3-13-9(12)7-4-5-10(2)8(11)6-7/h4-6H,3H2,1-2H3
(3) InChIKey: INXGWUMBWHECGK-UHFFFAOYAR