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| CAS No.: | 137756-89-9 |
|---|---|
| Name: | 4-(2-Hydroxyethyl)phenylboronicacid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H11BO3 |
| Molecular Weight: | 165.985 |
| Synonyms: | Boronic acid, B-[4-(2-hydroxyethyl)phenyl]-; |
| Density: | 1.209 g/cm3 |
| Boiling Point: | 359.891 °C at 760 mmHg |
| Flash Point: | 171.456 °C |
| PSA: | 60.69000 |
| LogP: | -1.09880 |
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- Total:16 Page 1 of 1 1
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Specification
The 4-(2-Hydroxyethyl)phenylboronicacid, with the CAS registry number 137756-89-9, is also known as Boronic acid, B-[4-(2-hydroxyethyl)phenyl]-. This chemical's molecular formula is C8H11BO3 and molecular weight is 165.9821. What's more, its systematic name is called [4-(2-Hydroxyethyl)phenyl]boronic acid.
Physical properties about 4-(2-Hydroxyethyl)phenylboronicacid are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 60.69 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 44.079 cm3; (9)Molar Volume: 137.305 cm3; (10)Surface Tension: 51.085 dyne/cm; (11)Density: 1.209 g/cm3; (12)Flash Point: 171.456 °C; (13)Enthalpy of Vaporization: 63.894 kJ/mol; (14)Boiling Point: 359.891 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCc1ccc(cc1)B(O)O
(2) InChI: InChI=1/C8H11BO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10-12H,5-6H2
(3) InChIKey: KQXBZMDDTQEGMT-UHFFFAOYAS