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CAS No.: | 1857-57-4 |
---|---|
Name: | 3-(3-BroMo-4-Methoxyphenyl)propionic acid, 96% |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H11BrO3 |
Molecular Weight: | 259.1 |
Synonyms: | Hydrocinnamicacid, 3-bromo-4-methoxy- (7CI,8CI);3-(3-Bromo-4-methoxyphenyl)propanoic acid;3-(3-Bromo-4-methoxyphenyl)propionic acid;3-Bromo-4-Methoxyphenylpropionicacid; |
Density: | 1.492 g/cm3 |
Melting Point: | 96-100℃ |
Boiling Point: | 371.3 °C at 760 mmHg |
Flash Point: | 178.3 °C |
PSA: | 46.53000 |
LogP: | 2.47490 |
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The Benzenepropanoicacid, 3-bromo-4-methoxy- is an organic compound with the formula C10H11BrO3. The systematic name of this chemical is 3-(3-Bromo-4-methoxyphenyl)propanoic acid. With the CAS registry number 1857-57-4, it is also named as 3-(3-Bromo-4-methoxy-phenyl)-propionic acid. Besides, its molecular weight is 257.99.
The physical properties of Benzenepropanoicacid, 3-bromo-4-methoxy- are: (1)ACD/LogP: 2.33; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): -0.4; (4)ACD/BCF (pH 5.5): 4.14; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 52.71; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 56.36 cm3; (14)Molar Volume: 173.5 cm3; (15)Polarizability: 22.3×10-24 cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.492 g/cm3; (18)Flash Point: 178.3 °C; (19)Enthalpy of Vaporization: 65.23 kJ/mol; (20)Boiling Point: 371.3 °C at 760 mmHg; (21)Vapour Pressure: 3.6E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1OC)CCC(=O)O
(2)InChI: InChI=1/C10H11BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
(3)InChIKey: MLXVZRVWVCOUBQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H11BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
(5)Std. InChIKey: MLXVZRVWVCOUBQ-UHFFFAOYSA-N