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CAS No.: | 480424-49-5 |
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Name: | 3-FORMYL-2-METHOXYBENZENEBORONIC ACID 98 |
Molecular Structure: | |
Formula: | C8H9BO4 |
Molecular Weight: | 179.968 |
Synonyms: | Boronicacid, (3-formyl-2-methoxyphenyl)- (9CI);(3-Formyl-2-methoxyphenyl)boronic acid; |
Density: | 1.25 g/cm3 |
Melting Point: | 122-125 °C |
Boiling Point: | 407.7 °C at 760 mmHg |
Flash Point: | 200.4 °C |
Hazard Symbols: | Xi |
PSA: | 66.76000 |
LogP: | -0.81250 |
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This chemical is called (3-Formyl-2-methoxyphenyl)boronic acid, and its CAS registry number is 480424-49-5. With the molecular formula of C8H9BO4, its molecular weight is 179.97. Additionally, its product categories are Blocks; Boronic Acids; Aryl; Boronic Acids; Boronic Acids and Derivatives.
Other characteristics of the (3-Formyl-2-methoxyphenyl)boronic acid can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.92; (6)ACD/BCF (pH 7.4): 2.92; (7)ACD/KOC (pH 5.5): 92.48; (8)ACD/KOC (pH 7.4): 68.83; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.62 cm3; (15)Molar Volume: 142.8 cm3; (16)Polarizability: 17.68×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 200.4 °C; (20)Enthalpy of Vaporization: 69.56 kJ/mol; (21)Boiling Point: 407.7 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1cccc(B(O)O)c1OC
2.InChI: InChI=1/C8H9BO4/c1-13-8-6(5-10)3-2-4-7(8)9(11)12/h2-5,11-12H,1H3
3.InChIKey: DUROSIJIMLRFHR-UHFFFAOYAV