| CAS Number | 72030-75-2 |
| Catalog Number | AG01EIPN |
| Chemical Name | ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate |
| IUPAC Name | ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate |
| InChI | InChI=1S/C8H8N2O3/c1-3-12-8(11)7-6(4-9-2)13-5-10-7/h5H,3-4H2,1H3 |
| InChI Key | UNUGAZVWALMTOB-UHFFFAOYSA-N |
| MDL Number | MFCD31629091 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | CCOC(C1=C(C[N+]#[C-])OC=N1)=O |
| Synonyms | ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate,
72030-75-2,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.163g/mol |
| Monoisotopic Mass | 180.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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