methyl 1,3-oxazole-2-carboxylate


Chemical Name: methyl 1,3-oxazole-2-carboxylate
CAS Number: 31698-88-1
Product Number: AG00CISV(AGN-PC-09TAJX)
Synonyms:
MDL No:
Molecular Formula: C5H5NO3
Molecular Weight: 127.0981

Identification/Properties


Computed Properties
Molecular Weight:
127.099g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
127.027g/mol
Monoisotopic Mass:
127.027g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
115
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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