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
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