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CAS No.: | 730971-32-1 |
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Name: | 3-BORONO-4-METHOXYBENZOIC ACID |
Molecular Structure: | |
Formula: | C8H9BO5 |
Molecular Weight: | 195.967 |
Synonyms: | 2-Methoxy-5-carboxyphenylboronicacid; |
Density: | 1.39 g/cm3 |
Melting Point: | 207-210 °C |
Boiling Point: | 454.1 °C at 760 mmHg |
Flash Point: | 228.5 °C |
Hazard Symbols: | Xi |
PSA: | 86.99000 |
LogP: | -0.92680 |
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This chemical is called Benzoic acid,3-borono-4-methoxy-, and its systematic name is 3-borono-4-methoxy-benzoic acid. With the molecular formula of C8H9BO5, its molecular weight is 195.97. The CAS registry number of this chemical is 730971-32-1. Additionally, its product categories are Blocks; BoronicAcids; Carboxes; Aryl; Organoborons.
Other characteristics of the Benzoic acid,3-borono-4-methoxy- can be summarised as followings: (1)ACD/LogP: 1.33; (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: 228.5 °C; (14)Enthalpy of Vaporization: 75.2 kJ/mol; (15)Boiling Point: 454.1 °C at 760 mmHg; (16)Vapour Pressure: 4.88E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B(c1cc(ccc1OC)C(=O)O)(O)O
2.InChI: InChI=1/C8H9BO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11)
3.InChIKey: UENFRNNKQBQROW-UHFFFAOYAE