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CAS No.: | 15568-85-1 |
---|---|
Name: | 5-(METHOXYMETHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C8H10O5 |
Molecular Weight: | 186.164 |
Synonyms: | Malonicacid, (methoxymethylene)-, cyclic isopropylidene ester (8CI);5-Methoxymethylene-2,2-dimethyl-4,6-dioxo-1,3-dioxane;MethoxymethyleneMeldrum's acid;NSC 662768; |
EINECS: | 1312995-182-4 |
Density: | 1.297 g/cm3 |
Melting Point: | 132-134 °C |
Boiling Point: | 390 °C at 760 mmHg |
Flash Point: | 178.7 °C |
PSA: | 61.83000 |
LogP: | 0.35280 |
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The 1,3-Dioxane-4,6-dione,5-(methoxymethylene)-2,2-dimethyl- is an organic compound with the formula C8H10O5. The IUPAC name of this chemical is 5-(Methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. With the CAS registry number 15568-85-1, it is also named as Methoxymethylene meldrum's acid. Besides, its molecular weight is 186.16.
Physical properties about 1,3-Dioxane-4,6-dione,5-(methoxymethylene)-2,2-dimethyl- are: (1)ACD/LogP: -1.33; (2)ACD/LogD (pH 5.5): -1.32; (3)ACD/LogD (pH 7.4): -1.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.53; (7)ACD/KOC (pH 7.4): 4.53; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 61.83 Å2; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 43.86 cm3; (13)Molar Volume: 143.5 cm3; (14)Polarizability: 17.39×10-24 cm3; (15)Surface Tension: 45.2 dyne/cm; (16)Density: 1.297 g/cm3; (17)Flash Point: 178.7 °C; (18)Enthalpy of Vaporization: 63.94 kJ/mol; (19)Boiling Point: 390 °C at 760 mmHg; (20)Vapour Pressure: 2.74E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
(2)InChIKey: DVLSQHLXPRYYRC-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
(4)Std. InChIKey: DVLSQHLXPRYYRC-UHFFFAOYSA-N