| CAS Number | 1440962-16-2 |
| Catalog Number | AG018S6V(AGN-PC-0WOTB1) |
| Chemical Name | 7-oxospiro[3.5]nonane-2-carboxylic acid |
| IUPAC Name | 7-oxospiro[3.5]nonane-2-carboxylic acid |
| InChI | InChI=1S/C10H14O3/c11-8-1-3-10(4-2-8)5-7(6-10)9(12)13/h7H,1-6H2,(H,12,13) |
| InChI Key | OPKMBKCMUQWYAX-UHFFFAOYSA-N |
| MDL Number | MFCD24857339 |
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.2164 |
| SMILES | O=C1CCC2(CC1)CC(C(O)=O)C2 |
| Synonyms | 7-oxospiro[3.5]nonane-2-carboxylic acid,
1440962-16-2,
AKOS026726122,
ZINC216634434,
CS-0067439,
F8888-1857,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.219g/mol |
| Monoisotopic Mass | 182.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number