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CAS No.: | 374064-02-5 |
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Name: | 5-Pyridin-2-yl-1H-pyrazole-3-carboxylic acid |
Molecular Structure: | |
Formula: | C9H7N3O2 |
Molecular Weight: | 189.173 |
Synonyms: | 5-PYRIDIN-2-YL-4H-PYRAZOLE-3-CARBOXYLIC ACID;5-PYRIDIN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID;AKOS PAO-0369;5-(2-pyridinyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE);3-(2-Pyridinyl)-1H-Pyrazole-5-Carboxylic Acid;5-(2-Pyridyl)-3-pyrazolecarboxylic Acid;3-Carboxy-5-(pyridin-2-yl)-1H-pyrazole, 2-(3-Carboxy-1H-pyrazol-5-yl)pyridine |
Density: | 1.433 g/cm3 |
Boiling Point: | 525.81 °C at 760 mmHg |
Flash Point: | 271.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36-22 |
Safety: | 26 |
PSA: | 78.87000 |
LogP: | 1.16990 |
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Systematic Name: 3-(Pyridin-2-yl)-1H-pyrazole-5-carboxylic acid
Synonyms of 5-Pyridin-2-yl-1H-pyrazole-3-carboxylic acid (CAS NO.374064-02-5): 3-(Pyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CAS NO: 374064-02-5
Molecular Formula: C9H7N3O2
Molecular Weight: 189.17
Molecular Structure:
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 57.01 Å2
Index of Refraction: 1.654
Molar Refractivity: 48.39 cm3
Molar Volume: 132 cm3
Surface Tension: 76.6 dyne/cm
Density: 1.432 g/cm3
Flash Point: 271.8 °C
Enthalpy of Vaporization: 84.22 kJ/mol
Boiling Point: 525.8 °C at 760 mmHg
Vapour Pressure: 6.95E-12 mmHg at 25°C
SMILES: O=C(O)c1cc(nn1)c2ncccc2
InChI: InChI=1/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)
InChIKey: SJBWHTBPIJXUFP-UHFFFAOYAX
Std. InChI: InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)
Std. InChIKey: SJBWHTBPIJXUFP-UHFFFAOYSA-N
Hazard Codes: Xi