| CAS Number | 1955560-75-4 |
| Catalog Number | AG01C288 |
| Chemical Name | 3-(Tert-Butoxy)-2-Cyclopentyl-3-Oxopropanoic Acid |
| IUPAC Name | 2-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| InChI | InChI=1S/C12H20O4/c1-12(2,3)16-11(15)9(10(13)14)8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,14) |
| InChI Key | XJCKQINCVTVOIG-UHFFFAOYSA-N |
| MDL Number | MFCD30180336 |
| Molecular Formula | C12H20O4 |
| Molecular Weight | 228.2848 |
| SMILES | O=C(C(C1CCCC1)C(OC(C)(C)C)=O)O |
| Synonyms | 3-(tert-butoxy)-2-cyclopentyl-3-oxopropanoic acid,
1955560-75-4,
AKOS033945470,
Z2568751794,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.288g/mol |
| Monoisotopic Mass | 228.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number