| CAS Number | 2138071-47-1 |
| Catalog Number | AG01EKNF |
| Chemical Name | 6,6-dimethylspiro[3.3]heptane-2-carboxylic acid |
| IUPAC Name | 2,2-dimethylspiro[3.3]heptane-6-carboxylic acid |
| InChI | InChI=1S/C10H16O2/c1-9(2)5-10(6-9)3-7(4-10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12) |
| InChI Key | QSZYQEZFXKGUNX-UHFFFAOYSA-N |
| MDL Number | MFCD31559000 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | CC1(CC2(CC(C2)C(=O)O)C1)C |
| Synonyms | 6,6-dimethylspiro[3.3]heptane-2-carboxylic acid,
AKOS034122112,
F1913-0292,
2138071-47-1,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number