Chemical Property of (2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
Chemical Property:
- Vapor Pressure:7.51E-07mmHg at 25°C
- Refractive Index:1.619
- Boiling Point:392.1 °C at 760 mmHg
- Flash Point:190.9 °C
- PSA：72.44000
- Density:1.493 g/cm3
- LogP:0.67910
- Storage Temp.:2-8°C
- XLogP3:0.9
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:2
- Exact Mass:193.03750770
- Heavy Atom Count:14
- Complexity:266
- Purity/Quality:
-
97% *data from raw suppliers
(2-Oxo-1,3-benzoxazol-3(2H)-yl)aceticacid *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn
- Hazard Codes:Xn
- Statements:
22
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)O
-
General Description
(2-OXO-1,3-BENZOXAZOL-3(2H)-YL)ACETIC ACID is a compound that exists in two crystalline polymorphic forms (α and β) with distinct hydrogen-bonding networks and structural arrangements. The α-form features infinite one-dimensional chains linked by O–H···O and C–H···O hydrogen bonds, while the β-form exhibits bifurcated hydrogen bonds and π–π interactions. It also forms mononuclear complexes with Zn(II), Cu(II), and Co(II), where the metal centers adopt distorted octahedral geometries coordinated by carboxylate oxygen atoms and water molecules. Additionally, derivatives of this scaffold, such as 2-(2-oxobenzo[d]oxazol-3(2H)-yl)acetamides, have been explored as inhibitors of *Mycobacterium tuberculosis* InhA, demonstrating potential antitubercular activity.
