| CAS Number | 1059195-96-8 |
| Catalog Number | AG00HAQF(AGN-PC-0WG4TX) |
| Chemical Name | Methyl 2-(1,3-Dioxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]Pyrazin-4-Yl)Acetate |
| IUPAC Name | methyl 2-(1,3-dioxo-4H-pyrrolo[1,2-a]pyrazin-4-yl)acetate |
| InChI | InChI=1S/C10H10N2O4/c1-16-8(13)5-7-10(15)11-9(14)6-3-2-4-12(6)7/h2-4,7H,5H2,1H3,(H,11,14,15) |
| InChI Key | DYPKUMVHMDDLOH-UHFFFAOYSA-N |
| MDL Number | MFCD28992186 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | COC(=O)CC1C(=O)NC(=O)c2cccn12 |
| Synonyms | Methyl 2-(1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetate,
1059195-96-8,
CS-0035537,
CID10751486,
Methyl 2-(3,5-dioxo-1,4-diazabicyclo[4.3.0]nona-6,8-dien-2-yl)acetate,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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