| CAS Number | 1909317-17-4 |
| Catalog Number | AG01C2FN |
| Chemical Name | tert-butyl 2-(2-formyl-1H-pyrrol-1-yl)acetate |
| IUPAC Name | tert-butyl 2-(2-formylpyrrol-1-yl)acetate |
| InChI | InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)7-12-6-4-5-9(12)8-13/h4-6,8H,7H2,1-3H3 |
| InChI Key | ZNGJPZUUYBDTQI-UHFFFAOYSA-N |
| MDL Number | MFCD29060296 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | CC(OC(CN1C(C=O)=CC=C1)=O)(C)C |
| Synonyms | tert-butyl 2-(2-formyl-1H-pyrrol-1-yl)acetate,
1909317-17-4,
ZINC299805652,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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