(S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid

The (S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, with the CAS registry number 53174-06-4, has the systematic name of (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic acid. And the molecular formula of this chemical is C₁₄H₁₈O₄. It belongs to the following product categories: Benzopyrans; Chiral Building Blocks; Heterocyclic Building Blocks.

The physical properties of (S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid are as following: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.7; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 67.1 cm³; (14)Molar Volume: 205.2 cm³; (15)Polarizability: 26.6×10^-24cm³; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.219 g/cm³; (18)Flash Point: 171 °C; (19)Enthalpy of Vaporization: 74.73 kJ/mol; (20)Boiling Point: 450.3 °C at 760 mmHg; (21)Vapour Pressure: 6.8E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]2(Oc1c(c(c(O)c(c1CC2)C)C)C)C
(2)InChI: InChI=1/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m0/s1
(3)InChIKey: GLEVLJDDWXEYCO-AWEZNQCLBU