| CAS Number | 1374659-02-5 |
| Catalog Number | AG01DVYR |
| Chemical Name | 6-oxaspiro[3.4]octane-2-carboxylic acid |
| IUPAC Name | 6-oxaspiro[3.4]octane-2-carboxylic acid |
| InChI | InChI=1S/C8H12O3/c9-7(10)6-3-8(4-6)1-2-11-5-8/h6H,1-5H2,(H,9,10) |
| InChI Key | KDDKTJSXBBUAGK-UHFFFAOYSA-N |
| MDL Number | MFCD27988065 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | OC(C1CC2(COCC2)C1)=O |
| Synonyms | 6-oxaspiro[3.4]octane-2-carboxylic acid,
1374659-02-5,
SB22976,
R181,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number