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38877-21-3

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Basic Information
CAS No.: 38877-21-3
Name: 5-hydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one
Molecular Structure:
Molecular Structure of 38877-21-3 (5-hydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one)
Formula: C6H8O3
Molecular Weight: 128.1259
Synonyms: 5-Hydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one;
Density: 1.278 g/cm3
Boiling Point: 207 °C at 760 mmHg
Flash Point: 86 °C
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Specification

The 5-Hydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one, with the CAS registry number 38877-21-3, is also known as 4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-6-methyl-. This chemical's molecular formula is C6H8O3 and molecular weight is 128.1259. Its systematic name is called 5-hydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one.

Physical properties of 5-Hydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one: (1)ACD/LogP: 0.14; (2)ACD/LogD (pH 5.5): 0.14; (3)ACD/LogD (pH 7.4): 0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.37; (7)ACD/KOC (pH 7.4): 28.2; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.524; (12)Molar Refractivity: 30.68 cm3; (13)Molar Volume: 100.2 cm3; (14)Surface Tension: 47.6 dyne/cm; (15)Density: 1.278 g/cm3; (16)Flash Point: 86 °C; (17)Enthalpy of Vaporization: 51.56 kJ/mol; (18)Boiling Point: 207 °C at 760 mmHg; (19)Vapour Pressure: 0.0541 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(/O)=C(\OCC1)C
(2)InChI: InChI=1/C6H8O3/c1-4-6(8)5(7)2-3-9-4/h8H,2-3H2,1H3
(3)InChIKey: YTKBKDDTNVNZLX-UHFFFAOYAW