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CAS No.: | 24889-15-4 |
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Name: | ACETONYLMALONIC ACID DIMETHYL ESTER |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H12O5 |
Molecular Weight: | 188.18 |
Synonyms: | Propanedioic acid, (2-oxopropyl)-,dimethyl ester (9CI);Dimethyl acetonylmalonate;Malonicacid, acetonyl-, dimethyl ester (8CI); |
Density: | 1.14 g/cm3 |
Boiling Point: | 262.739 °C at 760 mmHg |
Flash Point: | 111.135 °C |
PSA: | 69.67000 |
LogP: | -0.07230 |
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The Propanedioic acid,2-(2-oxopropyl)-, 1,3-dimethyl ester, with the CAS registry number 24889-15-4, is also known as 2-Oxopropylmalonic acid dimethyl ester. This chemical's molecular formula is C8H12O5 and molecular weight is 188.17788. Its IUPAC name is called dimethyl 2-(2-oxopropyl)propanedioate.
Physical properties of Propanedioic acid,2-(2-oxopropyl)-, 1,3-dimethyl ester: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 18.137; (4)ACD/KOC (pH 7.4): 18.137; (5)#H bond acceptors: 5; (6)#Freely Rotating Bonds: 6; (7)Index of Refraction: 1.43; (8)Molar Refractivity: 42.65 cm3; (9)Molar Volume: 165.05 cm3; (10)Surface Tension: 35.312 dyne/cm; (11)Density: 1.14 g/cm3; (12)Flash Point: 111.135 °C; (13)Enthalpy of Vaporization: 50.054 kJ/mol; (14)Boiling Point: 262.739 °C at 760 mmHg; (15)Vapour Pressure: 0.011 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-(2,2-dimethoxy-propyl)-malonic acid dimethyl ester. This reaction will need reagent aq. HCl. The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC(C(=O)OC)C(=O)OC
(2)InChI: InChI=1S/C8H12O5/c1-5(9)4-6(7(10)12-2)8(11)13-3/h6H,4H2,1-3H3
(3)InChIKey: KFTGUZGYWNARRQ-UHFFFAOYSA-N