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67194-53-0

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Basic Information
CAS No.: 67194-53-0
Name: Methyl 2-iodo-2-Methylpropionate
Molecular Structure:
Molecular Structure of 67194-53-0 (Methyl 2-iodo-2-Methylpropionate)
Formula: C5H9IO2
Molecular Weight: 228.03
Synonyms: Methyl 2-iodo-2-methylpropanoate;
Density: 1.709 g/cm3
Boiling Point: 185.5 °C at 760 mmHg
Flash Point: 66 °C
PSA: 26.30000
LogP: 1.37300
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Specification

The Propanoic acid, 2-iodo-2-methyl-, methyl ester has the CAS registry number 67194-53-0. This chemical's molecular formula is C5H9IO2 and molecular weight is 228.03. What's more, its systematic name is methyl 2-iodo-2-methylpropanoate.

Physical properties of Propanoic acid, 2-iodo-2-methyl-, methyl ester are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.91; (6)ACD/BCF (pH 7.4): 15.91; (7)ACD/KOC (pH 5.5): 252.26; (8)ACD/KOC (pH 7.4): 252.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 39.92 cm3; (15)Molar Volume: 133.4 cm3; (16)Polarizability: 15.82×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.709 g/cm3; (19)Flash Point: 66 °C; (20)Enthalpy of Vaporization: 42.17 kJ/mol; (21)Boiling Point: 185.5 °C at 760 mmHg; (22)Vapour Pressure: 0.695 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: IC(C(=O)OC)(C)C
(2)InChI: InChI=1S/C5H9IO2/c1-5(2,6)4(7)8-3/h1-3H3
(3)InChIKey: CYIPOXZPELQRJS-UHFFFAOYSA-N