Benzenepropanoic acid, 3-borono-, a-ethyl ester(9CI) supplier

Name
3-(2-ETHOXYCARBONYLETHYL)BENZENEBORONIC ACID 97
EINECS
CAS No. 913835-82-2
Density 1.15g/cm³
Solubility
Melting Point 94-96°C
Formula C₁₁H₁₅BO₄
Boiling Point 382.6 °C at 760 mmHg
Molecular Weight 222.0454
Flash Point 185.2 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms [3-(2-Ethoxycarbonylethyl)phenyl]boronic acid;
PSA 66.76000
LogP -0.13790

Benzenepropanoic acid, 3-borono-, a-ethyl ester(9CI) Specification

The Benzenepropanoic acid, 3-borono-, a-ethyl ester(9CI), with CAS registry number 913835-82-2, belongs to the following product categories: (1)Blocks; (2)BoronicAcids. It has the systematic name of [3-(3-ethoxy-3-oxo-propyl)phenyl]boronic acid. And the chemical formula of this chemical is C₁₁H₁₅BO₄. This chemical should kept cold.

Physical properties of Benzenepropanoic acid, 3-borono-, a-ethyl ester(9CI): (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.13; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 66.76 Å²; (9)Index of Refraction: 1.518; (10)Molar Refractivity: 58.29 cm³; (11)Molar Volume: 192.2 cm³; (12)Polarizability: 23.1×10^-24cm³; (13)Surface Tension: 44.1 dyne/cm; (14)Enthalpy of Vaporization: 66.56 kJ/mol; (15)Vapour Pressure: 1.55E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)CCC(=O)OCC)(O)O
(2)InChI: InChI=1/C11H15BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,14-15H,2,6-7H2,1H3
(3)InChIKey: RTJGTDXOUMFFRS-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H15BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,14-15H,2,6-7H2,1H3
(5)Std. InChIKey: RTJGTDXOUMFFRS-UHFFFAOYSA-N

Product Name

3-(2-ETHOXYCARBONYLETHYL)BENZENEBORONIC ACID 97

Benzenepropanoic acid, 3-borono-, a-ethyl ester(9CI) Specification

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