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CAS No.: | 913836-12-1 |
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Name: | 3-CARBOXY-4-METHOXYPHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C8H9BO5 |
Molecular Weight: | 195.967 |
Synonyms: | 5-BORONO-2-METHOXYBENZOIC ACID;3-CARBOXY-4-METHOXYPHENYLBORONIC ACID;3-Carboxy-4-methoxybenzeneboronic acid;3-Carboxy-4-methoxybenzeneboronic acid 98%;5-BORONO-2-METHOXYPHENYLBORONIC ACID;5-(dihydroxyboryl)-2-Methoxybenzoic acid;5-Borono-2-methoxybenzoic acid, 4-Borono-2-carboxyanisole |
Density: | 1.39 g/cm3 |
Melting Point: | 176-177 °C |
Boiling Point: | 442.5 °C at 760 mmHg |
Flash Point: | 221.4 °C |
Hazard Symbols: | Xi |
PSA: | 86.99000 |
LogP: | -0.92680 |
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This chemical is called Benzoic acid, 5-borono-2-methoxy-, and its systematic name is 5-borono-2-methoxy-benzoic acid. With the molecular formula of C8H9BO5, its molecular weight is 195.97. The CAS registry number of this chemical is 913836-12-1. Additionally, its product categories are Blocks; Boronic Acids; Aryl; Organoborons.
Other characteristics of the Benzoic acid, 5-borono-2-methoxy- can be summarised as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 86.99 Å2; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 45.92 cm3; (9)Molar Volume: 140.2 cm3; (10)Polarizability: 18.2×10-24cm3; (11)Surface Tension: 60.2 dyne/cm; (12)Density: 1.39 g/cm3; (13)Flash Point: 221.4 °C; (14)Enthalpy of Vaporization: 73.78 kJ/mol; (15)Boiling Point: 442.5 °C at 760 mmHg; (16)Vapour Pressure: 1.31E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B(c1ccc(c(c1)C(=O)O)OC)(O)O
2.InChI: InChI=1/C8H9BO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11)
3.InChIKey: YZKWFWNYFKBAHO-UHFFFAOYAZ