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Methyl 2-cyanopyridine-3-carboxylate

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Name

Methyl 2-cyanopyridine-3-carboxylate

EINECS N/A
CAS No. 75358-89-3 Density 1.25 g/cm3
PSA 62.98000 LogP 0.73988
Solubility N/A Melting Point N/A
Formula C8H6N2O2 Boiling Point 318 °C at 760 mmHg
Molecular Weight 162.15 Flash Point 146.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 75358-89-3 (methyl 2-cyanopyridine-3-carboxylate) Hazard Symbols N/A
Synonyms

Methyl 2-cyano-3-pyridinecarboxylate;

Article Data 9

Methyl 2-cyanopyridine-3-carboxylate Specification

The Methyl 2-cyanopyridine-3-carboxylate is an organic compound with the formula C8H6N2O2. The IUPAC name of this chemical is methyl 2-cyanopyridine-3-carboxylate. With the CAS registry number 75358-89-3, it is also named as 2-Cyano-3-pyridinecarboxylic acid methyl ester.

Physical properties about Methyl 2-cyanopyridine-3-carboxylate are: (1)ACD/LogP: 0.44; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 62.98 Å2; (5)Index of Refraction: 1.535; (6)Molar Refractivity: 40.23 cm3; (7)Molar Volume: 129.1 cm3; (8)Polarizability: 15.94×10-24cm3; (9)Surface Tension: 55.5 dyne/cm; (10)Density: 1.25 g/cm3; (11)Flash Point: 146.1 °C; (12)Enthalpy of Vaporization: 55.94 kJ/mol; (13)Boiling Point: 318 °C at 760 mmHg; (14)Vapour Pressure: 0.000373 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncccc1C(=O)OC
(2)InChI: InChI=1/C8H6N2O2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,1H3
(3)InChIKey: ANPYBZGPGODWJD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6N2O2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,1H3
(5)Std. InChIKey: ANPYBZGPGODWJD-UHFFFAOYSA-N

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