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| CAS No.: | 16728-01-1 |
|---|---|
| Name: | 1-(4-METHOXYPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H12O3 |
| Molecular Weight: | 192.214 |
| Synonyms: | Cyclopropanecarboxylicacid, 1-(p-methoxyphenyl)- (8CI);1-(4-Methoxyphenyl)-1-cyclopropanecarboxylicacid;1-(4-Methoxyphenyl)cyclopropanecarboxylic acid;NSC 158249; |
| EINECS: | 240-788-5 |
| Density: | 1.263 g/cm3 |
| Melting Point: | 127-132 °C |
| Boiling Point: | 347.7 °C at 760 mmHg |
| Flash Point: | 138.6 °C |
| Solubility: | Very soluble in water |
| Appearance: | White to almost white crystalline powder |
| Safety: | 24/25-25-24 |
| PSA: | 46.53000 |
| LogP: | 1.81140 |
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Specification
The Cyclopropanecarboxylicacid, 1-(4-methoxyphenyl)-, with the CAS registry number 16728-01-1, is also known as Cyclopropanecarboxylicacid, 1-(p-methoxyphenyl)- (8CI). It belongs to the product categories of Carboxylic Acids; Carboxylic Acids; Ring Systems. Its EINECS registry number is 240-788-5. This chemical's molecular formula is C11H12O3 and molecular weight is 192.2112. What's more, its IUPAC name is 1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid. It should be stored in airtight containers and placed in a dry, cool place. When you are dealing with this chemical, you should be very careful. You should avoid contact with skin and eyes.
Physical properties about Cyclopropanecarboxylicacid, 1-(4-methoxyphenyl)- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): -1.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.584 ; (14)Molar Refractivity: 50.97 cm3; (15)Molar Volume: 152.1 cm3; (16)Polarizability: 20.2×10-24 cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 138.6 °C; (20)Enthalpy of Vaporization: 62.48 kJ/mol; (21)Boiling Point: 347.7 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-05 mmHg at 25 °C.
Preparation of Cyclopropanecarboxylicacid, 1-(4-methoxyphenyl)-: this chemical is prepared by 1-(4-Methoxyphenyl)cyclopropane-1-carbonitrile. This reaction needs reagent KOH and solvent bis-(2-hydroxy-ethyl) ether by heating for 8 hours. The yield is 76.7 %. And the reaction equation is as followed:
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C2(c1ccc(OC)cc1)CC2
(2) InChI: InChI=1/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
(3) InChIKey: WCPFQQHADRJANG-UHFFFAOYAI