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Molecular Structure of Pyridin-4-ylacetic acid (CAS NO.28356-58-3):
IUPAC Name: 2-pyridin-4-ylacetic acid
Empirical Formula: C7H7NO2
Molecular Weight: 137.136
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 39.19 Å2
Index of Refraction: 1.557
Molar Refractivity: 35.45 cm3
Molar Volume: 110.1 cm3
Surface Tension: 54.9 dyne/cm
Density: 1.245 g/cm3
Flash Point: 137.5 °C
Enthalpy of Vaporization: 57.46 kJ/mol
Boiling Point: 303.8 °C at 760 mmHg
Vapour Pressure: 0.000399 mmHg at 25°C
EINECS: 248-990-5
Melting point: 139-141°C
Product Categories: Pyridine; Pyridines
InChI
InChI=1/C7H7NO2/c9-7(10)5-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)
Smiles
c1(ccncc1)CC(O)=O
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Pyridin-4-ylacetic acid , with CAS number of 28356-58-3, can be called Pyridin-4-ylacetic acid ; 4-pyridineacetic acid ; 4-pyridylacetic acid hydrochloride .