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Propanoic acid, 2-iodo-2-methyl-, methyl ester

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  • Name Propanoic acid, 2-iodo-2-methyl-, methyl ester
  • EINECSN/A
  • CAS No. 67194-53-0
  • Density1.709 g/cm3
  • PSA26.30000
  • LogP1.37300
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H9IO2
  • Boiling Point185.5 °C at 760 mmHg
  • Molecular Weight228.03
  • Flash Point66 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 67194-53-0 (Methyl 2-iodo-2-Methylpropionate)
  • Hazard SymbolsN/A
  • SynonymsN/A

Propanoic acid, 2-iodo-2-methyl-, methyl ester 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

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