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| CAS No.: | 78495-65-5 |
|---|---|
| Name: | 4-Fluoro-3-methoxyphenylacetic acid |
| Molecular Structure: | |
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| Formula: | C9H9FO3 |
| Molecular Weight: | 214.193 |
| Synonyms: | 2-Fluoro-3,4-dimethoxyphenylaceticacid; |
| Density: | 1.269 g/cm3 |
| Melting Point: | 103-107℃ |
| Boiling Point: | 317.1 °C at 760 mmHg |
| Flash Point: | 145.6 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 46.53000 |
| LogP: | 1.46140 |
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Specification
The 4-Fluoro-3-methoxyphenylacetic acid is an organic compound with the formula C9H9FO3. The systematic name of this chemical is 2-(4-fluoro-3-methoxy-phenyl)acetic acid. With the CAS registry number 78495-65-5, it is also named as (4-Fluoro-3-methoxyphenyl)acetic acid.
Physical properties about 4-Fluoro-3-methoxyphenylacetic acid are: (1)ACD/LogP: 1.42; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 46.53 Å2; (6)Index of Refraction: 1.519; (7)Molar Refractivity: 44.03 cm3; (8)Molar Volume: 145 cm3; (9)Polarizability: 17.45×10-24cm3; (10)Surface Tension: 42 dyne/cm; (11)Density: 1.269 g/cm3; (12)Flash Point: 145.6 °C; (13)Enthalpy of Vaporization: 58.96 kJ/mol; (14)Boiling Point: 317.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000165 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1OC)CC(O)=O
(2)InChI: InChI=1/C9H9FO3/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4H,5H2,1H3,(H,11,12)
(3)InChIKey: YNNVYROHVVBVFI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H9FO3/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4H,5H2,1H3,(H,11,12)
(5)Std. InChIKey: YNNVYROHVVBVFI-UHFFFAOYSA-N