| CAS Number | 1468691-26-0 |
| Catalog Number | AG01AUIY |
| Chemical Name | 5-Oxaspiro[3.5]Nonane-8-Carboxylic Acid |
| IUPAC Name | 5-oxaspiro[3.5]nonane-8-carboxylic acid |
| InChI | InChI=1S/C9H14O3/c10-8(11)7-2-5-12-9(6-7)3-1-4-9/h7H,1-6H2,(H,10,11) |
| InChI Key | HQXAMOGHZYMCPZ-UHFFFAOYSA-N |
| MDL Number | MFCD29034913 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | C1CCC12OCCC(C2)C(=O)O |
| Synonyms | 5-oxaspiro[3.5]nonane-8-carboxylic acid,
1468691-26-0,
AKOS018463395,
Z1359390646,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number