| CAS Number | 1366068-08-7 |
| Catalog Number | AG01B26T |
| Chemical Name | Tert-butyl 1-cyanocyclobutane-1-carboxylate |
| IUPAC Name | tert-butyl 1-cyanocyclobutane-1-carboxylate |
| InChI | InChI=1S/C10H15NO2/c1-9(2,3)13-8(12)10(7-11)5-4-6-10/h4-6H2,1-3H3 |
| InChI Key | ZVJPMDOVKARKBK-UHFFFAOYSA-N |
| MDL Number | MFCD28364391 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | CC(OC(C1(C#N)CCC1)=O)(C)C |
| Synonyms | tert-butyl 1-cyanocyclobutane-1-carboxylate,
1366068-08-7,
1-cyanocyclobutanecarboxylic acid tert-butyl ester,
SCHEMBL782800,
ZVJPMDOVKARKBK-UHFFFAOYSA-N,
ZINC114582980,
1-Cyano-cyclobutanecarboxylic acid tert-butyl ester,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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