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| CAS No.: | 865869-28-9 |
|---|---|
| Name: | 4,4-DIMETHYLCYCLOHEXEN-1-YLBORONIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H15BO2 |
| Molecular Weight: | 154.017 |
| Synonyms: | Boronicacid, (4,4-dimethyl-1-cyclohexen-1-yl)- (9CI);(4,4-Dimethylcyclohexen-1-yl)boronic acid; |
| Density: | 1g/cm3 |
| Melting Point: | 152-154°C |
| Boiling Point: | 264.1 °C at 760 mmHg |
| Flash Point: | 113.5 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 40.46000 |
| LogP: | 1.13490 |
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Specification
The Boronic acid,B-(4,4-dimethyl-1-cyclohexen-1-yl)-, with CAS registry number 865869-28-9, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of (4,4-dimethylcyclohexen-1-yl)boronic acid. This chemical should be stored at the temperature of -20°C. And the chemical formula of this chemical is C8H15BO2.
Physical properties of Boronic acid,B-(4,4-dimethyl-1-cyclohexen-1-yl)-: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.477; (10)Molar Refractivity: 43.26 cm3; (11)Molar Volume: 153.1 cm3; (12)Polarizability: 17.15×10-24cm3; (13)Surface Tension: 33.7 dyne/cm; (14)Density: 1 g/cm3; (15)Flash Point: 113.5 °C; (16)Enthalpy of Vaporization: 58.3 kJ/mol; (17)Boiling Point: 264.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00138 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(C1=CCC(CC1)(C)C)(O)O
(2)InChI: InChI=1/C8H15BO2/c1-8(2)5-3-7(4-6-8)9(10)11/h3,10-11H,4-6H2,1-2H3
(3)InChIKey: HWFBGGLUEZIDOE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H15BO2/c1-8(2)5-3-7(4-6-8)9(10)11/h3,10-11H,4-6H2,1-2H3
(5)Std. InChIKey: HWFBGGLUEZIDOE-UHFFFAOYSA-N