CAS No.52916-16-2,2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52916-16-2
Name:	2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid
Article Data:	2

Formula:	C₈H₁₄O₃
Molecular Weight:	158.19
Synonyms:	2,2-Dimethyltetrahydro-2H-pyran-4-carboxylicacid;Tetrahydro-2,2-dimethyl-2H-pyran-4-carboxylic acid;
Density:	1.067 g/cm³
Melting Point:	102 °C
Boiling Point:	261.8 °C at 760 mmHg
Flash Point:	102.9 °C
PSA:	46.53000
LogP:	1.27620

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Specification

This chemical has the IUPAC name 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid. With the CAS registry number 52916-16-2, it is also named as 2H-Pyran-4-carboxylic acid, tetrahydro-2,2-dimethyl-. Its molecular formula is C₈H₁₄O₃ and its molecular weight is 158.19.

Physical properties about 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -1.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.07; (8)ACD/KOC (pH 7.4): 1; (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: 1.453; (14)Molar Refractivity: 40.09 cm³; (15)Molar Volume: 148.1 cm³; (16)Polarizability: 15.89×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Enthalpy of Vaporization: 54.99 kJ/mol; (19)Vapour Pressure: 0.00336 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CC(OCC1)(C)C
(2)InChI: InChI=1/C8H14O3/c1-8(2)5-6(7(9)10)3-4-11-8/h6H,3-5H2,1-2H3,(H,9,10)
(3)InChIKey: GRROPKFZKZZTQE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H14O3/c1-8(2)5-6(7(9)10)3-4-11-8/h6H,3-5H2,1-2H3,(H,9,10)
(5)Std. InChIKey: GRROPKFZKZZTQE-UHFFFAOYSA-N