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3-(4-Chlorophenyl)-2-methoxypropanoic acid

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  • Name 3-(4-Chlorophenyl)-2-methoxypropanoic acid
  • EINECSN/A
  • CAS No. 606493-11-2
  • Density1.273 g/cm3
  • PSA46.53000
  • LogP1.98210
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H11ClO3
  • Boiling Point340.853 °C at 760 mmHg
  • Molecular Weight214.65
  • Flash Point159.942 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 606493-11-2 (3-(4-chlorophenyl)-2-methoxypropanoic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

3-(4-Chlorophenyl)-2-methoxypropanoic acid Specification

The systematic name of 3-(4-Chlorophenyl)-2-methoxypropanoic acid is 3-(4-chlorophenyl)-2-methoxy-propanoic acid. With the CAS registry number 606493-11-2, it is also named as Benzenepropanoicacid, 4-chloro-alpha-methoxy-. In addition, its molecular formula is C10H11ClO3 and molecular weight is 214.65.

The other characteristics of 3-(4-Chlorophenyl)-2-methoxypropanoic acid can be summarized as: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 53.231 cm3; (13)Molar Volume: 168.58 cm3; (14)Polarizability: 21.103×10-24cm3; (15)Surface Tension: 45.634 dyne/cm; (16)Density: 1.273 g/cm3; (17)Flash Point: 159.942 °C; (18)Enthalpy of Vaporization: 61.684 kJ/mol; (19)Boiling Point: 340.853 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: COC(Cc1ccc(cc1)Cl)C(=O)O
(2)InChI: InChI=1/C10H11ClO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,13)
(3)InChIKey: HLTZEXKDHFIJKM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H11ClO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,13)
(5)Std. InChIKey: HLTZEXKDHFIJKM-UHFFFAOYSA-N

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