| CAS Number | 13241-36-6 |
| Catalog Number | AG019EW8(AGN-PC-0PJQ97) |
| Chemical Name | (3aS,6aS)-3a,6a-dihydrofuro[5,4-d]furan-3,6-dione |
| EC Number | 236-217-4 |
| IUPAC Name | (3aS,6aR)-3a,6a-dihydrofuro[3,2-b]furan-3,6-dione |
| InChI | InChI=1S/C6H6O4/c7-3-1-9-6-4(8)2-10-5(3)6/h5-6H,1-2H2/t5-,6+ |
| InChI Key | WDUVHBUZEIBPBR-OLQVQODUSA-N |
| MDL Number | MFCD31560358 |
| Molecular Formula | C6H6O4 |
| Molecular Weight | 142.1094 |
| SMILES | O=C1CO[C@H]2[C@@H]1OCC2=O |
| Synonyms | (3aS,6aS)-dihydrofuro[3,2-b]furan-3,6(2H,5H)-dione,
13241-36-6,
ZINC5133059,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.11g/mol |
| Monoisotopic Mass | 142.027g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
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