| CAS Number | 1269824-46-5 |
| Catalog Number | AG019ZT5(AGN-PC-0WO6GU) |
| Chemical Name | Methyl 4-acetyl-5-amino-1H-pyrrole-2-carboxylate |
| IUPAC Name | methyl 4-acetyl-5-amino-1H-pyrrole-2-carboxylate |
| InChI | InChI=1S/C8H10N2O3/c1-4(11)5-3-6(8(12)13-2)10-7(5)9/h3,10H,9H2,1-2H3 |
| InChI Key | GOYQEWBTMKRFJS-UHFFFAOYSA-N |
| MDL Number | MFCD20727403 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | O=C(C1=CC(C(C)=O)=C(N)N1)OC |
| Synonyms | methyl 4-acetyl-5-amino-1H-pyrrole-2-carboxylate,
1269824-46-5,
SCHEMBL1504430,
GOYQEWBTMKRFJS-UHFFFAOYSA-N,
MFCD20727403,
ZINC82162675,
AKOS023809101,
AS-43856,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number