| CAS Number | 527751-13-9 |
| Catalog Number | AG01C34K(AGN-PC-0SDKTT) |
| Chemical Name | rac-tert-butyl (1R,3S)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate |
| IUPAC Name | tert-butyl (1S,3R)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C13H22O3/c1-8(14)9-7-10(13(9,5)6)11(15)16-12(2,3)4/h9-10H,7H2,1-6H3/t9-,10+/m0/s1 |
| InChI Key | WPGRNRNFZMZNFY-VHSXEESVSA-N |
| MDL Number | MFCD29762785 |
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.3120 |
| SMILES | CC([C@H]1C(C)(C)[C@@H](C(OC(C)(C)C)=O)C1)=O |
| Synonyms | tert-butyl (1S,3R)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate,
527751-13-9,
SCHEMBL965390,
WPGRNRNFZMZNFY-VHSXEESVSA-N,
AKOS034812103,
ZINC114933578,
EN300-254208,
Z2379087699,
(1S,3R)-tert-butyl 3-acetyl-2,2-dimethylcyclobutanecarboxylate,
(1alpha)-2,2-Dimethyl-3alpha-acetylcyclobutanecarboxylic acid tert-butyl ester,
rac-tert-butyl (1R,3S)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylate, cis,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.316g/mol |
| Monoisotopic Mass | 226.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number