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CAS No.: | 190191-69-6 |
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Name: | 1,3-Dioxane-5-carboxylicacid,methylester(9CI) |
Molecular Structure: | |
Formula: | C6H10O4 |
Molecular Weight: | 146.1412 |
Synonyms: | Methyl1,3-Dioxane-5-carboxylate; |
Density: | 1.158 g/cm3 |
Boiling Point: | 177.499 °C at 760 mmHg |
Flash Point: | 65.234 °C |
PSA: | 44.76000 |
LogP: | -0.22010 |
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The 1,3-Dioxane-5-carboxylicacid, methyl ester, with the CAS registry number 190191-69-6, is also known as EN001349. It belongs to the product category of Carboxylicester. This chemical's molecular formula is C6H10O4 and molecular weight is 146.1412. Its IUPAC name is called methyl 1,3-dioxane-5-carboxylate.
Physical properties of 1,3-Dioxane-5-carboxylicacid, methyl ester: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 13.341; (4)ACD/KOC (pH 7.4): 13.341; (5)#H bond acceptors: 4; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.43; (8)Molar Refractivity: 32.608 cm3; (9)Molar Volume: 126.153 cm3; (10)Surface Tension: 34.095 dyne/cm; (11)Density: 1.158 g/cm3; (12)Flash Point: 65.234 °C; (13)Enthalpy of Vaporization: 41.38 kJ/mol; (14)Boiling Point: 177.499 °C at 760 mmHg; (15)Vapour Pressure: 1.037 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1COCOC1
(2)InChI: InChI=1S/C6H10O4/c1-8-6(7)5-2-9-4-10-3-5/h5H,2-4H2,1H3
(3)InChIKey: VLMXHXVWOSBWTO-UHFFFAOYSA-N