| CAS Number | 124002-32-0 |
| Catalog Number | AG000LDQ(AGN-PC-0PHQGX) |
| Chemical Name | Cyclopenta[b]pyrrole-1,2(2H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2S,3aS,6aS)- |
| IUPAC Name | (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-6-4-5-8(9)7-10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/p-1/t8-,9-,10-/m0/s1 |
| InChI Key | MHOIOLLMOIIRTR-GUBZILKMSA-M |
| MDL Number | MFCD29919795 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C([C@@H]1C[C@@](CCC2)([H])[C@@]2([H])N1C(OC(C)(C)C)=O)O |
| Synonyms | 124002-32-0,
Cyclopenta[b]pyrrole-1,2(2H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2S,3aS,6aS)-,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.139g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.306g/mol |
| Monoisotopic Mass | 254.139g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number