| CAS Number | 866319-08-6 |
| Catalog Number | AG019FBR(AGN-PC-0WB82D) |
| Chemical Name | rac-(3aR,6aS)-octahydropyrrolo[3,4-c]pyrrol-1-one |
| IUPAC Name | (3aS,6aR)-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-4-one |
| InChI | InChI=1S/C6H10N2O/c9-6-5-3-7-1-4(5)2-8-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1 |
| InChI Key | SYPKIQNBMOELDJ-RFZPGFLSSA-N |
| MDL Number | MFCD28038704 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | O=C1[C@@H]2[C@@H](CNC2)CN1 |
| Synonyms | Cis-hexahydropyrrolo[3,4-c]pyrrol-1(2h)-one,
(3aR,6aS)-Octahydropyrrolo[3,4-c]pyrrol-1-one,
866319-08-6,
SCHEMBL1749056,
ZINC84325091,
SB15890,
CS-0056673,
(3AR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-1(2H)-one,
1820581-33-6,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number