(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid


Chemical Name: (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CAS Number: 832684-43-2
Product Number: AG0036HW(AGN-PC-0K0GXH)
Synonyms:
MDL No:
Molecular Formula: C12H17NO3
Molecular Weight: 223.2683

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
223.272g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
223.121g/mol
Monoisotopic Mass:
223.121g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
285
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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