| CAS Number | 2197422-77-6 |
| Catalog Number | AG01FLGI(AGN-PC-3H4B6L) |
| Chemical Name | methyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate |
| IUPAC Name | methyl 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate |
| InChI | InChI=1S/C10H11NO4/c1-15-10(14)8-3-2-6-4-7(12)5-9(13)11(6)8/h4-5,8,12H,2-3H2,1H3 |
| InChI Key | VBONALMXHBRKJA-UHFFFAOYSA-N |
| MDL Number | MFCD31652594 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | COC(C1N2C(=CC(=CC2=O)O)CC1)=O |
| Synonyms | Methyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate,
CS-0080268,
2197422-77-6,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.068808g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.2g/mol |
| Monoisotopic Mass | 209.068808g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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