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CAS No.: | 104023-75-8 |
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Name: | 2,2-Dichloro-1-(4'-ethoxyphenyl)cyclopropane-1-carboxylic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H12Cl2O3 |
Molecular Weight: | 275.13 |
Synonyms: | 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylicacid; |
Density: | 1.41 g/cm3 |
Boiling Point: | 391.8 °C at 760 mmHg |
Flash Point: | 190.7 °C |
PSA: | 46.53000 |
LogP: | 2.98530 |
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The 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylic acid, with the CAS registry number 104023-75-8, is also known as Cyclopropanecarboxylic acid, 2,2-dichloro-1-(4-ethoxyphenyl)-. This chemical's molecular formula is C12H12Cl2O3 and molecular weight is 275.13. Its systematic name is called 2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylic acid.
Physical properties of 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylic acid: (1)ACD/LogP: 2.43; (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)Index of Refraction: 1.59; (11)Molar Refractivity: 65.56 cm3; (12)Molar Volume: 194.1 cm3; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.41 g/cm3; (15)Flash Point: 190.7 °C; (16)Enthalpy of Vaporization: 67.65 kJ/mol; (17)Boiling Point: 391.8 °C at 760 mmHg; (18)Vapour Pressure: 7.7E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC2(Cl)CC2(c1ccc(OCC)cc1)C(O)=O
(2)InChI: InChI=1/C12H12Cl2O3/c1-2-17-9-5-3-8(4-6-9)11(10(15)16)7-12(11,13)14/h3-6H,2,7H2,1H3,(H,15,16)
(3)InChIKey: DQXVWYCZSNWWIU-UHFFFAOYAU