Name: Tetrahydro-3-methyl-4H-pyran-4-one
SKU: 119124-53-7

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Basic Information

Molecular Structure:
CAS No.:	119124-53-7
Name:	Tetrahydro-3-methyl-4H-pyran-4-one
Article Data:	22

Formula:	C₆H₁₀O₂
Molecular Weight:	114.143
Synonyms:	Tetrahydro-3-methyl-4H-pyran-4-one;
Density:	1.001 g/cm³
Boiling Point:	174.859 °C at 760 mmHg
Flash Point:	63.458 °C
PSA:	26.30000
LogP:	0.61190

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Specification

The 4H-Pyran-4-one, tetrahydro-3-methyl-, with the CAS registry number of 119124-53-7, is also known as Tetrahydro-3-methyl-4H-pyran-4-one. Its molecular formula is C₆H₁₀O₂ and molecular weight is 114.143. What's more, its systematic name is 3-Methyltetrahydro-4H-pyran-4-one.

Physical properties about the 4H-Pyran-4-one, tetrahydro-3-methyl- are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17; (6)ACD/KOC (pH 7.4): 17; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.431; (12)Molar Refractivity: 29.502 cm³; (13)Molar Volume: 113.987 cm³; (14)Surface Tension: 28.841 dyne/cm; (15)Density: 1.001 g/cm³; (16)Flash Point: 63.458 °C; (17)Enthalpy of Vaporization: 41.119 kJ/mol; (18)Boiling Point: 174.859 °C at 760 mmHg; (19)Vapour Pressure: 1.181 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCOCC1C
(2) InChI: InChI=1/C6H10O2/c1-5-4-8-3-2-6(5)7/h5H,2-4H2,1H3
(3) InChIKey: PGPWMORFOPRGCA-UHFFFAOYAB