| CAS Number | 174195-95-0 |
| Catalog Number | AG0079FR(AGN-PC-0003TR) |
| Chemical Name | tert-butyl 3-oxocyclopentane-1-carboxylate |
| IUPAC Name | tert-butyl 3-oxocyclopentane-1-carboxylate |
| InChI | InChI=1S/C10H16O3/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7H,4-6H2,1-3H3 |
| InChI Key | VWGRUBYATPOSGE-UHFFFAOYSA-N |
| MDL Number | MFCD16293726 |
| Molecular Formula | C10H16O3 |
| Molecular Weight | 184.2322 |
| SMILES | C(=O)(OC(C)(C)C)C1CCC(=O)C1 |
| Synonyms | 174195-95-0,
Cyclopentanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,
tert-Butyl 3-oxocyclopentane-1-carboxylate,
tert-butyl 3-oxocyclopentanecarboxylate,
tert-Butyl (1 S)-3-Oxocyclopentane carboxylate,
SCHEMBL1139839,
CTK0A7567,
DTXSID40554274,
VWGRUBYATPOSGE-UHFFFAOYSA-N,
107930-99-4,
AKOS030238845,
SB13928,
tert-Butyl 3-Oxocyclopentane carboxylate,
FT-0740215,
rac-3-oxo-cyclopentanecarboxylic acid tert-butyl ester,
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| 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 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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