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Cis-2-Methylcyclopropanecarboxylic acid

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  • Name Cis-2-Methylcyclopropanecarboxylic acid
  • EINECS228-141-5
  • CAS No. 6142-57-0
  • Density1.171g/cm3
  • PSA37.30000
  • LogP0.72700
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H8O2
  • Boiling Point191.2 °C at 760 mmHg
  • Molecular Weight100.117
  • Flash Point87.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6142-57-0 (cis-2-methylcyclopropanecarboxylic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

Cis-2-Methylcyclopropanecarboxylic acid Specification

The Cis-2-Methylcyclopropanecarboxylic acid, with CAS registry number 6142-57-0, has the systematic name of 2-methylcyclopropanecarboxylic acid. Besides this, it is also called cyclopropanecarboxylic acid, 2-methyl-. And the chemical formula of this chemical is C5H8O2. What's more, its EINECS is 228-141-5.

Physical properties of Cis-2-Methylcyclopropanecarboxylic acid: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.47; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 24.65 cm3; (15)Molar Volume: 85.4 cm3; (16)Polarizability: 9.77×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.171 g/cm3; (19)Flash Point: 87.8 °C; (20)Enthalpy of Vaporization: 47.11 kJ/mol; (21)Boiling Point: 191.2 °C at 760 mmHg; (22)Vapour Pressure: 0.229 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CC1C
(2)InChI: InChI=1/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)
(3)InChIKey: AYEGPMGNMOIHDL-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)
(5)Std. InChIKey: AYEGPMGNMOIHDL-UHFFFAOYSA-N

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