| CAS Number | 84109-76-2 |
| Catalog Number | AG008GXQ(AGN-PC-0NF39P) |
| Chemical Name | Cyclopentanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-oxocyclopentane-1-carboxylate |
| InChI | InChI=1S/C10H16O3/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7H,4-6H2,1-3H3 |
| InChI Key | OGIKPUCMXHEUMK-UHFFFAOYSA-N |
| MDL Number | MFCD19301646 |
| Molecular Formula | C10H16O3 |
| Molecular Weight | 184.2322 |
| SMILES | C(=O)(OC(C)(C)C)C1C(=O)CCC1 |
| Synonyms | 84109-76-2,
tert-butyl 2-oxocyclopentanecarboxylate,
Tert-butyl 2-oxocyclopentane-1-carboxylate,
tert-butyl 2-oxo-cyclopentanecarboxylate,
Cyclopentanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester,
SCHEMBL3780480,
CTK3D0835,
DTXSID00453395,
OGIKPUCMXHEUMK-UHFFFAOYSA-N,
t-Butyl 2-oxocyclopentanecarboxylate,
MFCD19301646,
CS-12414,
SY058108,
MFCD19301646 (95%),
2-Oxocyclopentanecarboxylic acid tert-butyl ester,
CID11052317,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.235g/mol |
| Monoisotopic Mass | 184.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precuationary statements
|
|
|
Siginal words
|
|
Certificate of Analysis
Lot Number