| CAS Number | 2094495-36-8 |
| Catalog Number | AG01E83Z |
| Chemical Name | 5-(Dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile |
| IUPAC Name | 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C7H9N3O2/c1-10(2)7-5(3-8)9-6(4-11)12-7/h11H,4H2,1-2H3 |
| InChI Key | ZHYYFZUZKRMNTF-UHFFFAOYSA-N |
| MDL Number | MFCD30734167 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | CN(C1=C(C#N)N=C(CO)O1)C |
| Synonyms | 5-(dimethylamino)-2-(hydroxymethyl)-1,3-oxazole-4-carbonitrile,
AKOS034038059,
ZINC585139447,
Z2805877217,
2094495-36-8,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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