| CAS Number | 1803347-45-6 |
| Catalog Number | AG019F23 |
| Chemical Name | 7-Hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3,8-dicarboxylic acid |
| IUPAC Name | 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid |
| InChI | InChI=1S/C10H9NO6/c12-6-3-7(13)11-4(8(6)10(16)17)1-2-5(11)9(14)15/h3,5,12H,1-2H2,(H,14,15)(H,16,17) |
| InChI Key | HUFICPZUGMCVGN-UHFFFAOYSA-N |
| MDL Number | MFCD28991935 |
| Molecular Formula | C10H9NO6 |
| Molecular Weight | 239.1816 |
| SMILES | OC(=O)c1c(O)cc(=O)n2c1CCC2C(=O)O |
| Synonyms | 7-Hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3,8-dicarboxylic acid,
1803347-45-6,
7-HYDROXY-5-OXO-2,3-DIHYDRO-1H-INDOLIZINE-3,8-DICARBOXYLIC ACID,
SCHEMBL17020330,
MFCD28991935,
CS-0036450,
1445865-55-3,
|
| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.183g/mol |
| Monoisotopic Mass | 239.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number