4-(2-Methoxycarbonylethyl)phenylboronic acid supplier

Name
[4-(2-METHOXYCARBONYLETHYL)PHENYL]BORONIC ACID
EINECS
CAS No. 850568-44-4
Article Data2
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point 90-94 °C
Formula C₁₀H₁₃BO₄
Boiling Point 358.6 °C at 760 mmHg
Molecular Weight 208.022
Flash Point 170.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms [4-(2-Methoxycarbonylethyl)phenyl]boronicacid;[4-(3-Methoxy-3-oxopropyl)phenyl]boronic acid;
PSA 66.76000
LogP -0.52800

4-(2-Methoxycarbonylethyl)phenylboronic acid Specification

The CAS register number of 4-(2-Methoxycarbonylethyl)phenylboronic acid is 850568-44-4. It also can be called as Benzenepropanoic acid,4-borono-, 1-methyl ester and the systematic name about this chemical is [4-(3-methoxy-3-oxopropyl)phenyl]boronic acid. The molecular formula about this chemical is C₁₀H₁₃BO₄and molecular weight is 208.02. It belongs to the following product categories which include Blocks; BoronicAcids and so on.

Physical properties about 4-(2-Methoxycarbonylethyl)phenylboronic acid are: (1)ACD/LogP: 1.63; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 44.76Å²; (6)Index of Refraction: 1.522; (7)Molar Refractivity: 53.66 cm³; (8)Molar Volume: 175.9 cm³; (9)Polarizability: 21.27x10^-24cm³; (10)Surface Tension: 45 dyne/cm; (11)Enthalpy of Vaporization: 63.74 kJ/mol; (12)Boiling Point: 358.6 °C at 760 mmHg; (13)Vapour Pressure: 9.11E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCc1ccc(cc1)B(O)O
(2)InChI: InChI=1/C10H13BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6,13-14H,4,7H2,1H3
(3)InChIKey: XRKIHUXCUIFHAS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H13BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6,13-14H,4,7H2,1H3
(5)Std. InChIKey: XRKIHUXCUIFHAS-UHFFFAOYSA-N

Product Name

[4-(2-METHOXYCARBONYLETHYL)PHENYL]BORONIC ACID

4-(2-Methoxycarbonylethyl)phenylboronic acid Specification

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