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185996-33-2

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Basic Information
CAS No.: 185996-33-2
Name: (S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETAMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 185996-33-2 ((S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETAMIDE)
Formula: C7H13NO3
Molecular Weight: 159.185
Synonyms: 1,3-Dioxolane-4-acetamide,2,2-dimethyl-, (S)-;
Density: 1.078 g/cm3
Melting Point: 108-109 °C
Boiling Point: 308.4 °C at 760 mmHg
Flash Point: 168.7 °C
Solubility: soluble
Appearance: white powder
Safety: 24/25
PSA: 61.55000
LogP: 0.71360
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Specification

This chemical is called 1,3-Dioxolane-4-acetamide,2,2-dimethyl-, (4S)-, and its systematic name is 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetamide. With the molecular formula of C7H13NO3, its CAS registry number is 185996-33-2. In addition, this chemical should be sealed in the cool and dry place. Avoid contacting with skin and eyes.

Other characteristics of the 1,3-Dioxolane-4-acetamide,2,2-dimethyl-, (4S)- can be summarised as followings: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.98; (8)ACD/KOC (pH 7.4): 8.98; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 39.25 cm3; (15)Molar Volume: 147.5 cm3; (16)Polarizability: 15.56×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.078 g/cm3; (19)Flash Point: 168.7 °C; (20)Enthalpy of Vaporization: 54.91 kJ/mol; (21)Boiling Point: 308.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000683 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N)C[C@@H]1OC(OC1)(C)C
2.InChI: InChI=1/C7H13NO3/c1-7(2)10-4-5(11-7)3-6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)/t5-/m0/s1
3.InChIKey: PDKGYPMMTGPUCJ-YFKPBYRVBB