| CAS Number | 1909336-14-6 |
| Catalog Number | AG019TLV |
| Chemical Name | 1-[2-(tert-butoxy)-2-oxoethyl]-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h4-6H,7H2,1-3H3,(H,14,15) |
| InChI Key | FDHJVIGMEHIAIK-UHFFFAOYSA-N |
| MDL Number | MFCD29907470 |
| Molecular Formula | C11H15NO4 |
| Molecular Weight | 225.2411 |
| SMILES | CC(OC(CN1C(C(O)=O)=CC=C1)=O)(C)C |
| Synonyms | 1-[2-(tert-butoxy)-2-oxoethyl]-1H-pyrrole-2-carboxylic acid,
1909336-14-6,
SCHEMBL4915437,
AKOS033921200,
ZINC147208522,
Z2469606580,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.244g/mol |
| Monoisotopic Mass | 225.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number