- 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
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Cas Database |
| Name |
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid |
EINECS | N/A |
| CAS No. | 5471-77-2 | Density | 1.126 g/cm3 |
| PSA | 63.60000 | LogP | 0.66030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H12O4 | Boiling Point | 250.5 °C at 760 mmHg |
| Molecular Weight | 160.17 | Flash Point | 97.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Malonicacid, dimethyl-, ethyl ester (6CI);Malonic acid, dimethyl-, monoethyl ester(8CI);Propanedioic acid, dimethyl-, monoethyl ester (9CI);2,2-Dimethylmalonicacid monoethyl ester;2-Carbethoxy-2-methylpropionic acid;3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid;Dimethylmalonic acid monoethylester;Ethyl dimethylmalonate;Ethyl a-carboxyisobutyrate;Monoethyl dimethylmalonate;NSC28452; |
Article Data | 19 |
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid Specification
The Systematic name about this chemical is 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid. The cas register number of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid is 5471-77-2. It also can be called as propanedioic acid, 2,2-dimethyl-, monoethyl ester.
Physical properties about 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid are: (1)ACD/LogP: 1.04; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6Å2; (11)Index of Refraction: 1.444; (12)Molar Refractivity: 37.78 cm3; (13)Molar Volume: 142.2 cm3; (14)Surface Tension: 37.6 dyne/cm; (15)Density: 1.126 g/cm3; (16)Flash Point: 97.7 °C; (17)Enthalpy of Vaporization: 53.71 kJ/mol; (18)Boiling Point: 250.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00684 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)C(C(=O)OCC)(C)C
2.InChI: InChI=1/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9)
3.InChIKey: WDWFSABLPAHCPF-UHFFFAOYAP
4.Std. InChI: InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9)
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