| CAS Number | 1935036-28-4 |
| Catalog Number | AG01EB7A |
| Chemical Name | octahydropyrano[3,4-c]pyrrole-7a-carboxylic acid |
| IUPAC Name | 2,3,3a,4,6,7-hexahydro-1H-pyrano[3,4-c]pyrrole-7a-carboxylic acid |
| InChI | InChI=1S/C8H13NO3/c10-7(11)8-1-2-12-4-6(8)3-9-5-8/h6,9H,1-5H2,(H,10,11) |
| InChI Key | QESITGGBKKRCDP-UHFFFAOYSA-N |
| MDL Number | MFCD31736439 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | OC(C12CCOCC1CNC2)=O |
| Synonyms | octahydropyrano[3,4-c]pyrrole-7a-carboxylic acid,
1935036-28-4,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.1 |
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Certificate of Analysis
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