This chemical is called 2-Bromo-3-methoxypropionic acid, and it can also be named as propanoic acid, 2-bromo-3-methoxy-. With the molecular formula of C4H7BrO3, its molecular weight is 183.00. The CAS registry number of this chemical is 65090-78-0.
Other characteristics of the 2-Bromo-3-methoxypropionic acid can be summarised as followings: (1)ACD/LogP: 0.74; (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: 3; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 31.581 cm3; (13)Molar Volume: 109.109 cm3; (14)Polarizability: 12.52×10-24cm3; (15)Surface Tension: 44.798 dyne/cm; (16)Density: 1.677 g/cm3; (17)Flash Point: 108.973 °C; (18)Enthalpy of Vaporization: 54.4 kJ/mol; (19)Boiling Point: 256.575 °C at 760 mmHg; (20)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)C(Br)COC
2.InChI: InChI=1/C4H7BrO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
3.InChIKey: PSAODTDHXIDDAT-UHFFFAOYAK
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