| CAS Number | 41301-66-0 |
| Catalog Number | AG00C8U0(AGN-PC-05WCSA) |
| Chemical Name | ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentanecarboxylate |
| IUPAC Name | ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentane-1-carboxylate |
| InChI | InChI=1S/C12H18O5/c1-3-16-10(14)8-12(11(15)17-4-2)7-5-6-9(12)13/h3-8H2,1-2H3 |
| InChI Key | ZEAPJFYZWGYKCO-UHFFFAOYSA-N |
| MDL Number | MFCD00665204 |
| Molecular Formula | C12H18O5 |
| Molecular Weight | 242.2683 |
| SMILES | CCOC(=O)CC1(CCCC1=O)C(=O)OCC |
| Synonyms | 41301-66-0,
2-Carbethoxy-2-(carbethoxymethyl)-1-cyclopentanone,
ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentanecarboxylate,
ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentane-1-carboxylate,
AC1N9Z3O,
Oprea1_152829,
SCHEMBL1918461,
CTK8I6635,
KS-00001YAR,
DTXSID50403082,
ZEAPJFYZWGYKCO-UHFFFAOYSA-N,
1-Ethoxycarbonylmethyl-2-oxo-cyclopentanecarboxylic acid ethyl ester,
MFCD00665204,
AKOS005096334,
ACM41301660,
CS-0047227,
6G-927,
ethyl 1-ethoxycarbonyl-2-oxocyclopent-1-ylacetate,
CID4418640,
Ethyl 1-(ethoxycarbonylmethyl)-2-oxo-cyclopentane-1-carboxylate,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.271g/mol |
| Monoisotopic Mass | 242.115g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 69.7A^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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