| CAS Number | 2177267-53-5 |
| Catalog Number | AG01FLGW(AGN-PC-3H4B78) |
| Chemical Name | 8-oxo-1-oxaspiro[4.5]decane-2-carboxylic acid |
| IUPAC Name | 8-oxo-1-oxaspiro[4.5]decane-2-carboxylic acid |
| InChI | InChI=1S/C10H14O4/c11-7-1-4-10(5-2-7)6-3-8(14-10)9(12)13/h8H,1-6H2,(H,12,13) |
| InChI Key | YDEAWEQVACUTBX-UHFFFAOYSA-N |
| MDL Number | MFCD31652239 |
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.2158 |
| SMILES | O=C1CCC2(CC1)CCC(O2)C(=O)O |
| Synonyms | 8-Oxo-1-oxaspiro[4.5]decane-2-carboxylic acid,
CS-0079846,
1-Oxaspiro[4.5]decane-2-carboxylic acid, 8-oxo-,
2177267-53-5,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.089209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.22g/mol |
| Monoisotopic Mass | 198.089209g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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