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Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)-

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Name

Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)-

EINECS N/A
CAS No. 850567-92-9 Density 1.02 g/cm3
PSA 40.46000 LogP 0.74480
Solubility N/A Melting Point 118-124 °C
Formula C7H13BO2 Boiling Point 264.8 °C at 760 mmHg
Molecular Weight 139.99 Flash Point 113.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850567-92-9 (4-METHYL-1-CYCLOHEXEN-1-YLBORONIC ACID) Hazard Symbols
Synonyms

Boronicacid, (4-methyl-1-cyclohexen-1-yl)- (9CI);

Article Data 2

Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)- Specification

The Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)-, with the CAS registry number 850567-92-9, is also known as 4-Methyl-1-cyclohexen-1-ylboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C7H13BO2 and molecular weight is 139.99. What's more, its systematic name is called (4-Methylcyclohexen-1-yl)boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. In addition, you should keep it cold.

Physical properties about Boronic acid,B-(4-methyl-1-cyclohexen-1-yl)- are: (1) ACD/LogP: 2.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.57; (4) ACD/LogD (pH 7.4): 2.57; (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: 1.476; (10) Molar Refractivity: 38.6 cm3; (11) Molar Volume: 136.7 cm3; (12) Surface Tension: 34.1 dyne/cm; (13) Density: 1.02 g/cm3; (14) Flash Point: 113.9 °C; (15) Enthalpy of Vaporization: 58.38 kJ/mol; (16) Boiling Point: 264.8 °C at 760 mmHg; (17) Vapour Pressure: 0.00132 mmHg at 25 °C; (18) Melting Point: 118-124 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(C1=CCC(CC1)C)(O)O
(2) InChI: InChI=1/C7H13BO2/c1-6-2-4-7(5-3-6)8(9)10/h4,6,9-10H,2-3,5H2,1H3
(3) InChIKey: SJZMIZIVYIOMIW-UHFFFAOYAV

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