Benzeneacetic acid, 3-borono- supplier

Name
3-(Carboxymethyl)benzeneboronic acid
EINECS
CAS No. 914397-60-7
Density 1.339 g/cm³
Solubility
Melting Point
Formula C₈H₉BO₄
Boiling Point 433.768 °C at 760 mmHg
Molecular Weight 179.968
Flash Point 216.136 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(Carboxymethyl)phenylboronic acid;
PSA 77.76000
LogP -1.00650

Benzeneacetic acid, 3-borono- Specification

This chemical is called Benzeneacetic acid, 3-borono-, and its systematic name is [3-(dihydroxyboranyl)phenyl]acetic acid. With the molecular formula of C₈H₉BO₄, its molecular weight is 179.97. The CAS registry number of this chemical is 914397-60-7. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the Benzeneacetic acid, 3-borono- can be summarised as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 77.76 Å²; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 44.196 cm³; (13)Molar Volume: 134.436 cm³; (14)Polarizability: 17.52×10^-24cm³; (15)Surface Tension: 58.784 dyne/cm; (16)Density: 1.339 g/cm³; (17)Flash Point: 216.136 °C; (18)Enthalpy of Vaporization: 72.707 kJ/mol; (19)Boiling Point: 433.768 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1cccc(c1)B(O)O
2.InChI: InChI=1/C8H9BO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4,12-13H,5H2,(H,10,11)
3.InChIKey: UQOJWKCPHDCNQS-UHFFFAOYAQ

Product Name

3-(Carboxymethyl)benzeneboronic acid

Benzeneacetic acid, 3-borono- Specification

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