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| CAS No.: | 22174-29-4 |
|---|---|
| Name: | 3-(2 4-DIMETHOXYPHENYL)PROPIONIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H14O4 |
| Molecular Weight: | 210.23 |
| Synonyms: | Hydrocinnamicacid, 2,4-dimethoxy- (7CI,8CI); |
| Density: | 1.159 g/cm3 |
| Melting Point: | 100-104 °C(lit.) |
| Boiling Point: | 351.9 °C at 760 mmHg |
| Flash Point: | 135.6 °C |
| Safety: | 22-24/25 |
| PSA: | 55.76000 |
| LogP: | 1.72100 |
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- Total:23 Page 1 of 1 1
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Specification
The Benzenepropanoic acid,2,4-dimethoxy-, with the CAS registry number of 22174-29-4, is also known as Hydrocinnamicacid, 2,4-dimethoxy- (7CI,8CI). It belongs to the product categories of C11 to C12; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C11H14O4 and molecular weight is 210.23. What's more, its IUPAC name is 3-(2,4-Dimethoxyphenyl)propanoic acid.
Physical properties about the Benzenepropanoic acid,2,4-dimethoxy- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/BCF (pH 5.5): 1.45; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.19; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.76Å2; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 55.35 cm3; (14)Molar Volume: 181.3 cm3; (15)Surface Tension: 40.9 dyne/cm; (16)Density: 1.159 g/cm3; (17)Flash Point: 135.6 °C; (18)Enthalpy of Vaporization: 62.96 kJ/mol; (19)Boiling Point: 351.9 °C at 760 mmHg; (20)Vapour Pressure: 1.48E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCc1ccc(OC)cc1OC
(2) InChI: InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
(3) InChIKey: NVDCWSFMCUWKAL-UHFFFAOYAO