2-tert-butyl-1,3-oxazole-4-carboxylic acid


Chemical Name: 2-tert-butyl-1,3-oxazole-4-carboxylic acid
CAS Number: 1060816-08-1
Product Number: AG0092T0(AGN-PC-02K2M2)
Synonyms:
MDL No:
Molecular Formula: C8H11NO3
Molecular Weight: 169.1778

Identification/Properties


Computed Properties
Molecular Weight:
169.18g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
169.074g/mol
Monoisotopic Mass:
169.074g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
185
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:
H319-H412
Precautionary Statements:
P273-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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