methyl 5-tert-butyl-1,2-oxazole-3-carboxylate


Chemical Name: methyl 5-tert-butyl-1,2-oxazole-3-carboxylate
CAS Number: 517870-22-3
Product Number: AG00D848(AGN-PC-0LBD8I)
Synonyms:
MDL No:
Molecular Formula: C9H13NO3
Molecular Weight: 183.2044

Identification/Properties


Computed Properties
Molecular Weight:
183.207g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
183.09g/mol
Monoisotopic Mass:
183.09g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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

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NMR Spectrum


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