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

Name
3-(4-chlorophenyl)-2-methoxypropanoic acid
EINECS
CAS No. 606493-11-2
Density 1.273 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁ClO₃
Boiling Point 340.853 °C at 760 mmHg
Molecular Weight 214.65
Flash Point 159.942 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Chlorophenyl)-2-methoxypropanoic acid;
PSA 46.53000
LogP 1.98210

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

Product Name

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

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

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