Tetrahydropyranyl-4-acetic acid

The Tetrahydropyranyl-4-acetic acid, with the CAS registry number 85064-61-5, is also known as 2H-Pyran-4-acetic acid, tetrahydro-. It belongs to the product categories of Blocks; Carboxes; Heterocycles; Heterocycles series; Carboxylic Acids; Pyrans, Piperidines &Piperazines; Carboxylic Acids; Pyrans, Piperidines & Piperazines. This chemical's molecular formula is C₇H₁₂O₃ and molecular weight is 144.17. Its IUPAC name is called 2-(oxan-4-yl)acetic acid. This chemical is white to light yellow crystal powder.

Physical properties of Tetrahydropyranyl-4-acetic acid: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -2.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 35.55 cm³; (14)Molar Volume: 129.6 cm³; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.111 g/cm³; (17)Flash Point: 119.2 °C; (18)Enthalpy of Vaporization: 57.67 kJ/mol; (19)Boiling Point: 285.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000738 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should not breathe its dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCC1CC(=O)O
(2)InChI: InChI=1S/C7H12O3/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H,8,9)
(3)InChIKey: PBXYNWPYMVWJAH-UHFFFAOYSA-N