| CAS Number | 914637-34-6 |
| Catalog Number | AG00IZC4(AGN-PC-0WAYX4) |
| Chemical Name | 5-tert-butyl-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 5-tert-butyl-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H11NO3/c1-8(2,3)6-5(7(10)11)9-4-12-6/h4H,1-3H3,(H,10,11) |
| InChI Key | ZCFUUADBHFEUFP-UHFFFAOYSA-N |
| MDL Number | MFCD07376154 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | C(C)(C)(C)c1c(C(=O)O)nco1 |
| Synonyms | 5-tert-butyl-1,3-oxazole-4-carboxylic acid,
914637-34-6,
5-(tert-Butyl)-1,3-oxazole-4-carboxylic acid,
5-tert-Butyl-oxazole-4-carboxylic acid,
CTK7J1004,
KS-000023TR,
MFCD07376154,
SBB053175,
ZINC16124596,
AKOS010901642,
CH-0708,
F8882-7386,
Z2418193620,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number