7-HYDROXY-2,2,8-TRIMETHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE

The 4H-1-Benzopyran-4-one,2,3-dihydro-7-hydroxy-2,2,8-trimethyl-, with the CAS registry number 50544-72-4, is also known as 7-Hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-chromen-4-one. This chemical's molecular formula is C₁₂H₁₄O₃ and molecular weight is 206.2378. It should be stored in condition of dry and cold.

Physical properties about 4H-1-Benzopyran-4-one,2,3-dihydro-7-hydroxy-2,2,8-trimethyl- are: (1)ACD/LogP: 3.36; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 210.8; (6)ACD/BCF (pH 7.4): 177.39; (7)ACD/KOC (pH 5.5): 1602.3; (8)ACD/KOC (pH 7.4): 1348.34; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 56.19 cm³; (15)Molar Volume: 176.9 cm³; (16)Polarizability: 22.27×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 64.02 kJ/mol; (21)Boiling Point: 369.2 °C at 760 mmHg; (22)Melting Point: 181 °C; (23)Vapour Pressure: 5.67E-06 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2c(OC(C1)(C)C)c(c(O)cc2)C
(2) InChI: InChI=1/C12H14O3/c1-7-9(13)5-4-8-10(14)6-12(2,3)15-11(7)8/h4-5,13H,6H2,1-3H3
(3) InChIKey: OGVKPSHYVRAUCB-UHFFFAOYAP