| CAS Number | 1601085-89-5 |
| Catalog Number | AG01DVR6 |
| Chemical Name | 3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C8H13NO3/c1-8(2,3)6-4-5(7(10)11)12-9-6/h5H,4H2,1-3H3,(H,10,11) |
| InChI Key | IASVWRHPZYFHDU-UHFFFAOYSA-N |
| MDL Number | MFCD28151438 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CC(C1CC(C(O)=O)ON=1)(C)C |
| Synonyms | 3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid,
1601085-89-5,
AKOS026735875,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number