Benzenepropanoic acid, a,4-dihydroxy-, (aS)- (23508-35-2)

The (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid, with the CAS registry number 23508-35-2, is also known as Benzenepropanoic acid, α,4-dihydroxy-, (alphas)-. This chemical's molecular formula is C₉H₁₀O₄ and molecular weight is 182.17. What's more, its systematic name is called (2S)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid.

Physical properties about (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid are: (1) ACD/LogP: -0.41; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 3; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 77.76 Å²; (7) Index of Refraction: 1.617; (8) Molar Refractivity: 45.375 cm³; (9) Molar Volume: 129.695 cm³; (10) Polarizability: 17.988 10-24cm³; (11) Surface Tension: 69.576 dyne/cm; (12) Density: 1.405 g/cm³; (13) Flash Point: 218.597 °C; (14) Enthalpy of Vaporization: 70.364 kJ/mol; (15) Boiling Point: 414.439 °C at 760 mmHg; (16) Vapour Pressure: 0 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](O)Cc1ccc(O)cc1
(2) InChI: InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1
(3) InChIKey: JVGVDSSUAVXRDY-QMMMGPOBBM