Molecular Structure of 4-Methylmandelic acid (CAS No.31284-89-6):
Molecular Formula: C9H10O3
Molecular Weight: 166.1739
CAS No: 31284-89-6
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 57.53 Å2
Index of Refraction: 1.579
Molar Refractivity: 43.72 cm3
Molar Volume: 131.4 cm3
Surface Tension: 55.5 dyne/cm
Density: 1.264 g/cm3
Flash Point: 171.4 °C
Enthalpy of Vaporization: 61.17 kJ/mol
Boiling Point: 336.4 °C at 760 mmHg
Vapour Pressure: 4.41E-05 mmHg at 25°C
InChI: InChI=1/C9H10O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)/t8-/m1/s1
InChIKey: SFGURAWGCAPHON-MRVPVSSYBD
Std. InChI: InChI=1S/C9H10O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)/t8-/m1/s1
Std. InChIKey: SFGURAWGCAPHON-MRVPVSSYSA-N
4-Methylmandelic acid (CAS No.31284-89-6), its synonyms are 2-Hydroxy-2-(4-methylphenyl)acetic acid ; (4-Methylphenyl)hydroxyacetic acid .
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