2-Propenoicacid, 3-(3-boronophenyl)-, 1-ethyl ester, (2E)- (9CI) supplier

Name
3-((E)-3-ETHOXY-3-OXO-1-PROPEN-1-YL)BENZENEBORONIC ACID 98
EINECS
CAS No. 913835-51-5
Density 1.18g/cm³
Solubility
Melting Point 141-143 °C
Formula C₁₁H₁₃BO₄
Boiling Point 414.3 °C at 760 mmHg
Molecular Weight 220.033
Flash Point 204.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-((E)-3-ETHOXY-3-OXO-1-PROPEN-1-YL)BENZENEBORONIC ACID;3-(E-3-ETHOXY-3-OXO-1-PROPEN-1-YL)PHENYLBORONIC ACID;ETHYL 3-BORONOCINNAMATE;3-((E)-3-ETHOXY-3-OXO-1-PROPEN-1-YL)BENZENEBORONIC ACID 98;3-((E)-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid 98%;3-(trans-3-Ethoxy-3-oxo-1-propen-1-yl)benzeneboronic acid, 98%;(E)-(3-(3-Ethoxy-3-oxoprop-1-en-1-yl)phenyl)boronic acid
PSA 66.76000
LogP -0.05730

2-Propenoicacid, 3-(3-boronophenyl)-, 1-ethyl ester, (2E)- (9CI) Specification

The 2-Propenoicacid, 3-(3-boronophenyl)-, 1-ethyl ester, (2E)- (9CI), with CAS registry number 913835-51-5, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₁₁H₁₃BO₄.

Physical properties of 2-Propenoicacid, 3-(3-boronophenyl)-, 1-ethyl ester, (2E)- (9CI): (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 1.98; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 66.76 Å²; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 58.2 cm³; (11)Molar Volume: 185.6 cm³; (12)Polarizability: 23.07×10^-24cm³; (13)Surface Tension: 46 dyne/cm; (14)Density: 1.18 g/cm³; (15)Flash Point: 204.4 °C; (16)Enthalpy of Vaporization: 70.35 kJ/mol; (17)Boiling Point: 414.3 °C at 760 mmHg; (18)Vapour Pressure: 1.32E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C=CC(=O)OCC)(O)O
(2)InChI: InChI=1/C11H13BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8,14-15H,2H2,1H3/b7-6+
(3)InChIKey: UIZGQEYEJKAASO-VOTSOKGWBY
(4)Std. InChI: InChI=1S/C11H13BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8,14-15H,2H2,1H3/b7-6+
(5)Std. InChIKey: UIZGQEYEJKAASO-VOTSOKGWSA-N

Product Name

3-((E)-3-ETHOXY-3-OXO-1-PROPEN-1-YL)BENZENEBORONIC ACID 98

2-Propenoicacid, 3-(3-boronophenyl)-, 1-ethyl ester, (2E)- (9CI) Specification

Related Products

Hot Products