| CAS Number | 1517932-71-6 |
| Catalog Number | AG01C1VC |
| Chemical Name | 3-cyclohexyl-3-hydroxycyclobutane-1-carboxylic acid |
| IUPAC Name | 3-cyclohexyl-3-hydroxycyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H18O3/c12-10(13)8-6-11(14,7-8)9-4-2-1-3-5-9/h8-9,14H,1-7H2,(H,12,13) |
| InChI Key | ROBDZMBVLFHUIN-UHFFFAOYSA-N |
| MDL Number | MFCD24148584 |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.2588 |
| SMILES | OC(C1CC(C2CCCCC2)(O)C1)=O |
| Synonyms | 3-cyclohexyl-3-hydroxycyclobutane-1-carboxylic acid,
1517932-71-6,
AKOS020277668,
ZINC125049930,
Z2240999730,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.262g/mol |
| Monoisotopic Mass | 198.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number