| CAS Number | 1955474-80-2 |
| Catalog Number | AG01B5FF |
| Chemical Name | (1R,4r)-4-cyclobutylcyclohexane-1-carboxylic acid |
| IUPAC Name | 4-cyclobutylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C11H18O2/c12-11(13)10-6-4-9(5-7-10)8-2-1-3-8/h8-10H,1-7H2,(H,12,13) |
| InChI Key | AVMXPEPDNJXDGW-UHFFFAOYSA-N |
| MDL Number | MFCD30181065 |
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.2594 |
| SMILES | OC([C@@H]1CC[C@@H](C2CCC2)CC1)=O |
| Synonyms | (1r,4r)-4-cyclobutylcyclohexane-1-carboxylic acid,
1955474-80-2,
ZINC407985639,
EN300-300525,
Z2515207598,
rel-(1r,4r)-4-cyclobutylcyclohexane-1-carboxylic acid, trans,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.263g/mol |
| Monoisotopic Mass | 182.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number