| CAS Number | 72184-85-1 |
| Catalog Number | AG00IC8E(AGN-PC-0WR2RV) |
| Chemical Name | Ethyl 2-cyano-3-oxocyclopentanecarboxylate |
| IUPAC Name | ethyl 2-cyano-3-oxocyclopentane-1-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-2-13-9(12)6-3-4-8(11)7(6)5-10/h6-7H,2-4H2,1H3 |
| InChI Key | YLVQXWNYGDZDQP-UHFFFAOYSA-N |
| MDL Number | MFCD28053771 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCOC(=O)C1CCC(=O)C1C#N |
| Synonyms | Ethyl 2-cyano-3-oxocyclopentanecarboxylate,
72184-85-1,
MFCD28053771,
AS-42910,
2-Cyan-3-oxo-1-cyclopentancarbonsaeure-ethylester,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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