| CAS Number | 10521-07-0 |
| Catalog Number | AG0038CM(AGN-PC-0MTBBO) |
| Chemical Name | 2,8-Oxocanedione |
| IUPAC Name | oxocane-2,8-dione |
| InChI | InChI=1S/C7H10O3/c8-6-4-2-1-3-5-7(9)10-6/h1-5H2 |
| InChI Key | ZJHUBLNWMCWUOV-UHFFFAOYSA-N |
| MDL Number | MFCD16294213 |
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.1525 |
| SMILES | O=C1CCCCCC(=O)O1 |
| Synonyms | Oxocane-2,8-dione,
pimelic anhydride,
10521-07-0,
2,8-Oxocanedione,
pimelic acid anhydride,
Pimelinsaureanhydrid,
SCHEMBL1014174,
CTK0I3398,
DTXSID20429491,
ZJHUBLNWMCWUOV-UHFFFAOYSA-N,
nchembio815-comp2b,
CID9543533,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.154g/mol |
| Monoisotopic Mass | 142.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number