| CAS Number | 2090752-94-4 |
| Catalog Number | AG01DISH |
| Chemical Name | 7-(TERT-BUTOXYCARBONYL)-8-METHYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-3-CARBOXYLIC ACID |
| IUPAC Name | 8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylic acid |
| InChI | InChI=1S/C13H19N3O4/c1-8-10-14-7-9(11(17)18)16(10)6-5-15(8)12(19)20-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,17,18) |
| InChI Key | KQWCDSMLQWMMOO-UHFFFAOYSA-N |
| MDL Number | MFCD28992185 |
| Molecular Formula | C13H19N3O4 |
| Molecular Weight | 281.3077 |
| SMILES | CC1N(CCn2c1ncc2C(=O)O)C(=O)OC(C)(C)C |
| Synonyms | 7-(Tert-Butoxycarbonyl)-8-Methyl-5,6,7,8-Tetrahydroimidazo[1,2-A]Pyrazine-3-Carboxylic Acid,
2090752-94-4,
CS-0039761,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.312g/mol |
| Monoisotopic Mass | 281.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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