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70912-52-6

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Basic Information
CAS No.: 70912-52-6
Name: 2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYLIDENE)-1,3-DIOXANE-4,6-DIONE
Molecular Structure:
Molecular Structure of 70912-52-6 (2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYLIDENE)-1,3-DIOXANE-4,6-DIONE)
Formula: C10H13NO4
Molecular Weight: 211.218
Synonyms: 2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYLIDENE)-1,3-DIOXANE-4,6-DIONE;2,2-DIMETHYL-(2-TETRAHYDROPYRROLYDINENE)-1,3-DIOXANE-4,6-DIONE;2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYDINENE)-1,3-DIOXANE-4,6-DIONE;2,2-Dimethyl-5-(2-tetrahydropyrrolylidene)-1,3-dioxane-4,6-dione, 98 %
Density: 1.259 g/cm3
Melting Point: 171-175 °C
Boiling Point: 424.2 °C at 760 mmHg
Flash Point: 210.3 °C
Safety: 24/25
PSA: 64.63000
LogP: 0.78880
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Specification

This chemical is called 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-pyrrolidinylidene)-, and its systematic name is 2,2-dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione. With the molecular formula of C10H13NO4, its molecular weight is 211.21. The CAS registry number of this chemical is 70912-52-6. In addition, this chemical should be sealed in the cool and dry place. Avoid contacting with skin and eyes if you use it.

Other characteristics of the 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-pyrrolidinylidene)- can be summarised as followings: (1)ACD/LogP: -1.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 50.67 cm3; (9)Molar Volume: 167.6 cm3; (10)Polarizability: 20.08×10-24cm3; (11)Surface Tension: 42.1 dyne/cm; (12)Density: 1.259 g/cm3; (13)Flash Point: 210.3 °C; (14)Enthalpy of Vaporization: 67.86 kJ/mol; (15)Boiling Point: 424.2 °C at 760 mmHg; (16)Vapour Pressure: 2.11E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC(OC(=O)/C1=C2\NCCC2)(C)C
2.InChI: InChI=1/C10H13NO4/c1-10(2)14-8(12)7(9(13)15-10)6-4-3-5-11-6/h11H,3-5H2,1-2H3
3.InChIKey: HPMYPUSZJRSKIY-UHFFFAOYAR