| CAS Number | 1520699-87-9 |
| Catalog Number | AG01DSTK |
| Chemical Name | 1,9-Dioxaspiro[5.5]undecane-4-carboxylic acid |
| IUPAC Name | 1,9-dioxaspiro[5.5]undecane-4-carboxylic acid |
| InChI | InChI=1S/C10H16O4/c11-9(12)8-1-4-14-10(7-8)2-5-13-6-3-10/h8H,1-7H2,(H,11,12) |
| InChI Key | DTECNWOKJOJNBB-UHFFFAOYSA-N |
| MDL Number | MFCD23792810 |
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.2316 |
| SMILES | O1CCC(CC12CCOCC2)C(=O)O |
| Synonyms | 1,9-dioxaspiro[5.5]undecane-4-carboxylic acid,
1520699-87-9,
AKOS018463321,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.234g/mol |
| Monoisotopic Mass | 200.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number