| CAS Number | 1098353-68-4 |
| Catalog Number | AG01A5FD |
| Chemical Name | 1-(2-methoxyethyl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione |
| IUPAC Name | 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione |
| InChI | InChI=1S/C8H11NO3/c1-6-5-7(10)9(8(6)11)3-4-12-2/h5H,3-4H2,1-2H3 |
| InChI Key | NIDXASGUVNLEKI-UHFFFAOYSA-N |
| MDL Number | MFCD11643085 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | COCCN1C(=O)C(C)=CC1=O |
| Synonyms | 1-(2-methoxyethyl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione,
1098353-68-4,
ZINC37387187,
NE19212,
|
| Complexity | 245 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number