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CAS No.: | 736989-98-3 |
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Name: | [3-(3-HYDROXYPROPYL)PHENYL]BORONIC ACID |
Molecular Structure: | |
Formula: | C9H13BO3 |
Molecular Weight: | 180.01 |
Synonyms: | Boronicacid, [3-(3-hydroxypropyl)phenyl]- (9CI);[3-(3-Hydroxypropyl)phenyl]boronic acid;3-(3-Hydroxypropyl)benzeneboronicacid; |
Density: | 1.17 g/cm3 |
Boiling Point: | 394.9 °C at 760 mmHg |
Flash Point: | 192.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
PSA: | 60.69000 |
LogP: | -0.70870 |
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The Boronic acid,B-[3-(3-hydroxypropyl)phenyl]-, with the CAS registry number 736989-98-3, is also known as 3-(3-Hydroxyprop-1-yl)benzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C9H13BO3 and molecular weight is 180.0087. What's more, its systematic name is [3-(3-Hydroxypropyl)phenyl]boronic acid.
Physical properties about Boronic acid,B-[3-(3-hydroxypropyl)phenyl]- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 48.71 cm3; (9)Molar Volume: 153.7 cm3; (10)Polarizability: 19.31×10-24 cm3; (11)Surface Tension: 49.1 dyne/cm; (12)Density: 1.17 g/cm3; (13)Flash Point: 192.6 °C; (14)Enthalpy of Vaporization: 68.02 kJ/mol; (15)Boiling Point: 394.9 °C at 760 mmHg; (16)Vapour Pressure: 6.07E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cccc(c1)CCCO
(2) InChI: InChI=1/C9H13BO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11-13H,2,4,6H2
(3) InChIKey: OTCBPHAZRFXGKH-UHFFFAOYAG