| CAS Number | 54431-56-0 |
| Catalog Number | AG01C2N9 |
| Chemical Name | 1-cyclohexylazetidine-3-carboxylic acid |
| IUPAC Name | 1-cyclohexylazetidine-3-carboxylic acid |
| InChI | InChI=1S/C10H17NO2/c12-10(13)8-6-11(7-8)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,12,13) |
| InChI Key | XUZNTJMBNVOKTH-UHFFFAOYSA-N |
| MDL Number | MFCD29055114 |
| Molecular Formula | C10H17NO2 |
| Molecular Weight | 183.2475 |
| SMILES | OC(C1CN(C2CCCCC2)C1)=O |
| Synonyms | 1-cyclohexylazetidine-3-carboxylic acid,
54431-56-0,
SCHEMBL13905736,
ZINC19686068,
AKOS013580468,
F1907-3364,
Z2293608485,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.251g/mol |
| Monoisotopic Mass | 183.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number