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CAS No.: | 53940-10-6 |
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Name: | 3-Cyanopyridine-2-carboxylic acid |
Molecular Structure: | |
Formula: | C7H4N2O2 |
Molecular Weight: | 148.12 |
Synonyms: | 2-Pyridinecarboxylic acid, 3-cyano-; |
EINECS: | 604-604-1 |
Density: | 1.42 g/cm3 |
Melting Point: | 175-176 °C |
Boiling Point: | 371.6 °C at 760 mmHg |
Flash Point: | 178.5 °C |
PSA: | 73.98000 |
LogP: | 0.65148 |
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The 3-Cyanopyridine-2-carboxylic acid, with the CAS registry number 53940-10-6, is also known as 2-Pyridinecarboxylic acid, 3-cyano-. It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C7H4N2O2 and molecular weight is 148.12. What's more, its systematic name is 3-Cyanopyridine-2-carboxylic acid.
Physical properties about 3-Cyanopyridine-2-carboxylic acid are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 73.98 Å2; (6)Index of Refraction: 1.596; (7)Molar Refractivity: 35.39 cm3; (8)Molar Volume: 103.9 cm3; (9)Polarizability: 14.03×10-24 cm3; (10)Surface Tension: 78.2 dyne/cm; (11)Density: 1.42 g/cm3; (12)Flash Point: 178.5 °C; (13)Enthalpy of Vaporization: 65.26 kJ/mol; (14)Boiling Point: 371.6 °C at 760 mmHg; (15)Vapour Pressure: 3.52E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ncccc1C#N
(2) InChI: InChI=1/C7H4N2O2/c8-4-5-2-1-3-9-6(5)7(10)11/h1-3H,(H,10,11)
(3) InChIKey: MQQNUUHOZRDQQM-UHFFFAOYAC