| CAS Number | 1691064-66-0 |
| Catalog Number | AG01BS6B |
| Chemical Name | 5-ethoxyspiro[2.3]hexane-1-carboxylic acid |
| IUPAC Name | 5-ethoxyspiro[2.3]hexane-2-carboxylic acid |
| InChI | InChI=1S/C9H14O3/c1-2-12-6-3-9(4-6)5-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11) |
| InChI Key | JXHHGQSEZADPBM-UHFFFAOYSA-N |
| MDL Number | MFCD30536070 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | CCOC1CC2(C(C(O)=O)C2)C1 |
| Synonyms | 5-ethoxyspiro[2.3]hexane-1-carboxylic acid,
1691064-66-0,
|
| Complexity | 206 |
| 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 | 3 |
| 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