6-Benzoxazolecarboxylic acid


Chemical Name: 6-Benzoxazolecarboxylic acid
CAS Number: 154235-77-5
Product Number: AG003DH6(AGN-PC-03MQSN)
Synonyms:
MDL No: MFCD09954949
Molecular Formula: C8H5NO3
Molecular Weight: 163.1302

Identification/Properties


Properties
MP:
280-290 °C
BP:
350°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
163.132g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
163.027g/mol
Monoisotopic Mass:
163.027g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Benzo[d]oxazole-6-carboxylic acid is a versatile organic compound that plays a crucial role in chemical synthesis. It serves as a valuable building block in the preparation of various complex molecules due to its unique chemical reactivity and structural features. One of the key applications of Benzo[d]oxazole-6-carboxylic acid is in the synthesis of pharmaceutical compounds. Its ability to undergo selective reactions allows for the efficient construction of medicinally important molecules, making it a valuable tool in drug discovery and development. Furthermore, Benzo[d]oxazole-6-carboxylic acid can be utilized in the synthesis of advanced materials such as polymers and liquid crystals, showcasing its versatility in diverse fields of chemistry. Its presence in the toolkit of synthetic chemists highlights its importance in achieving precise and efficient chemical transformations, ultimately contributing to the advancement of science and technology.