| CAS Number | 90612-60-5 |
| Catalog Number | AG01C18N(AGN-PC-0WOK4E) |
| Chemical Name | 7-oxaspiro[3.5]nonane-2-carboxylic acid |
| IUPAC Name | 7-oxaspiro[3.5]nonane-2-carboxylic acid |
| InChI | InChI=1S/C9H14O3/c10-8(11)7-5-9(6-7)1-3-12-4-2-9/h7H,1-6H2,(H,10,11) |
| InChI Key | HWAOSQJGTBRERO-UHFFFAOYSA-N |
| MDL Number | MFCD21120407 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | C1C(CC12CCOCC2)C(=O)O |
| Synonyms | 7-oxaspiro[3.5]nonane-2-carboxylic acid,
90612-60-5,
DTXSID80719163,
ZINC76597880,
AKOS014338000,
R178,
CS-0058239,
F2147-1655,
Z1258540488,
|
| Complexity | 186 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number