| CAS Number | 1342089-18-2 |
| Catalog Number | AG01C28N |
| Chemical Name | 1-Cyclohexanecarbonylazetidine-3-carboxylic acid |
| IUPAC Name | 1-(cyclohexanecarbonyl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C11H17NO3/c13-10(8-4-2-1-3-5-8)12-6-9(7-12)11(14)15/h8-9H,1-7H2,(H,14,15) |
| InChI Key | MQHHRLAORURHHJ-UHFFFAOYSA-N |
| MDL Number | MFCD20282229 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | OC(C1CN(C(C2CCCCC2)=O)C1)=O |
| Synonyms | 1-cyclohexanecarbonylazetidine-3-carboxylic acid,
1342089-18-2,
ZINC70569221,
AKOS013573614,
Z2255113012,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number