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| CAS No.: | 60705-25-1 |
|---|---|
| Name: | Methyl 4,4-dimethoxyacetylacetate |
| Molecular Structure: | |
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| Formula: | C7H12O5 |
| Molecular Weight: | 176.169 |
| Synonyms: | METHYL-4,4-(DIMETHOXY)ACETOACETATE;methyl 4,4-dimethoxyacetyl acetate;4,4-Dimthoxy-acetoaceticAcidMethylEster,4,4-Dimethoxy-3-oxo-butyricAcidMethylEster;Methyl-4,4-(Dimethoxy);Butanoicacid, 4,4-diMethoxy-3-oxo-, Methyl ester |
| Density: | 1.116 g/cm3 |
| Boiling Point: | 239.7 °C at 760 mmHg |
| Flash Point: | 106.9 °C |
| Appearance: | colorless Liquid |
| PSA: | 61.83000 |
| LogP: | -0.26250 |
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Specification
This chemical is called Butanoica cid, 4,4-dimethoxy-3-oxo-, methyl ester, and its systematic name is Methyl 4,4-dimethoxy-3-oxobutanoate. With the molecular formula of C7H12O5, its molecular weight is 176.17. The CAS registry number of this chemical is 60705-25-1. Additionally, its product categories are All Aliphatics; Aliphatics; Miscellaneous Reagents.
Other characteristics of the Butanoica cid, 4,4-dimethoxy-3-oxo-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.13; (6)ACD/BCF (pH 7.4): 8.07; (7)ACD/KOC (pH 5.5): 155.93; (8)ACD/KOC (pH 7.4): 154.86; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 39.73 cm3; (15)Molar Volume: 157.7 cm3; (16)Polarizability: 15.75×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 106.9 °C; (20)Enthalpy of Vaporization: 47.66 kJ/mol; (21)Boiling Point: 239.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0396 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(CC(=O)OC)C(OC)OC
2.InChI: InChI=1/C7H12O5/c1-10-6(9)4-5(8)7(11-2)12-3/h7H,4H2,1-3H3
3.InChIKey: PJYQRBMGZRVNSQ-UHFFFAOYAX