| CAS Number | 331005-96-0 |
| Catalog Number | AG01E70N |
| Chemical Name | methyl 4-(dimethylamino)-2-oxobut-3-enoate |
| IUPAC Name | methyl 4-(dimethylamino)-2-oxobut-3-enoate |
| InChI | InChI=1S/C7H11NO3/c1-8(2)5-4-6(9)7(10)11-3/h4-5H,1-3H3 |
| InChI Key | XPYJCKBYZDSVTK-UHFFFAOYSA-N |
| MDL Number | MFCD24186186 |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.1671 |
| SMILES | COC(C(C=CN(C)C)=O)=O |
| Synonyms | 3-Butenoic acid, 4-(dimethylamino)-2-oxo-, methyl ester,
331005-96-0,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.169g/mol |
| Monoisotopic Mass | 157.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number