Boronic acid,[4-(3-oxocyclobutyl)phenyl]- (9CI) supplier

Name
3-(4-BORONOPHENYL)CYCLOBUTANONE
EINECS
CAS No. 254893-03-3
Article Data1
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point 94-98 °C
Formula C₁₀H₁₁BO₃
Boiling Point 397.5 °C at 760 mmHg
Molecular Weight 190
Flash Point 194.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(4-Dihydroxyborylphenyl)cyclobutanone;
PSA 57.53000
LogP -0.18710

Boronic acid,[4-(3-oxocyclobutyl)phenyl]- (9CI) Specification

The Boronic acid,[4-(3-oxocyclobutyl)phenyl]- (9Cl), with the CAS registry number 254893-03-3, is also known as 3-(4-Boronophenyl)cyclobutanone. This chemical's molecular formula is C₁₀H₁₁BO₃ and molecular weight is 190. What's more, its systematic name is [4-(3-Oxocyclobutyl)phenyl]boronic acid.

Physical properties about Boronic acid,[4-(3-oxocyclobutyl)phenyl]- (9Cl) are: (1)ACD/LogP: 0.74; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.14; (6)ACD/BCF (pH 7.4): 2.02; (7)ACD/KOC (pH 5.5): 59.9; (8)ACD/KOC (pH 7.4): 56.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 49.85 cm³; (15)Molar Volume: 151.5 cm³; (16)Polarizability: 19.76×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 194.2 °C; (20)Enthalpy of Vaporization: 68.34 kJ/mol; (21)Boiling Point: 397.5 °C at 760 mmHg; (22)Vapour Pressure: 4.93E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CC(c1ccc(cc1)B(O)O)C2
(2) InChI: InChI=1/C10H11BO3/c12-10-5-8(6-10)7-1-3-9(4-2-7)11(13)14/h1-4,8,13-14H,5-6H2
(3) InChIKey: BYPKMPFUDVBYQU-UHFFFAOYAM

Product Name

3-(4-BORONOPHENYL)CYCLOBUTANONE

Boronic acid,[4-(3-oxocyclobutyl)phenyl]- (9CI) Specification

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