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Name |
3-Methoxy-4-carboxyphenylboronic acid |
EINECS | N/A |
CAS No. | 851335-12-1 | Density | 1.39 g/cm3 |
PSA | 86.99000 | LogP | -0.92680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H9BO5 | Boiling Point | 430.7 °C at 760 mmHg |
Molecular Weight | 195.967 | Flash Point | 214.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methoxy-4-carboxyphenylboronic acid; |
Article Data | 1 |
The 3-Methoxy-4-carboxyphenylboronic acid, its cas register number is 851335-12-1. It also can be called as Benzoic acid,4-borono-2-methoxy- and the Systematic name about this chemical is 4-(dihydroxyboranyl)-2-methoxybenzoic acid. It belongs to the following product categories, such as API intermediates, Boronic acid, Aryl, Organoborons and so on. It is a irritant chemical.
Physical properties about 3-Methoxy-4-carboxyphenylboronic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1.13; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 86.99Å2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 45.92 cm3; (11)Molar Volume: 140.2 cm3; (12)Polarizability: 18.2x10-24cm3; (13)Surface Tension: 60.2 dyne/cm; (14)Enthalpy of Vaporization: 72.33 kJ/mol; (15)Vapour Pressure: 3.5E-08 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1C(O)=O)B(O)O
(2)InChI: InChI=1/C8H9BO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11)
(3)InChIKey: ASOXJGFTNRPKEN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H9BO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11)
(5)Std. InChIKey: ASOXJGFTNRPKEN-UHFFFAOYSA-N