| CAS Number | 1823868-27-4 |
| Catalog Number | AG01BVQM |
| Chemical Name | 5,5-dimethylspiro[2.3]hexane-1-carboxylic acid |
| IUPAC Name | 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid |
| InChI | InChI=1S/C9H14O2/c1-8(2)4-9(5-8)3-6(9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11) |
| InChI Key | KUBWZOMYBASVDV-UHFFFAOYSA-N |
| MDL Number | MFCD26938062 |
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.2063 |
| SMILES | CC1(CC2(C(C(O)=O)C2)C1)C |
| Synonyms | 5,5-dimethylspiro[2.3]hexane-1-carboxylic acid,
1823868-27-4,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.209g/mol |
| Monoisotopic Mass | 154.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number