(S)-Ethyl 3-oxocyclopentanecarboxylate - CAS 155325-49-8
Catalog: |
BB056019 |
Product Name: |
(S)-Ethyl 3-oxocyclopentanecarboxylate |
CAS: |
155325-49-8 |
Synonyms: |
(S)-Ethyl 3-oxocyclopentanecarboxylate |
IUPAC Name: | ethyl (1S)-3-oxocyclopentane-1-carboxylate |
Description: | (S)-Ethyl 3-oxocyclopentanecarboxylate, can be used in the biocatalytic synthesis of chiral cyclic γ-oxoesters by sequential C-H hydroxylation. |
Molecular Weight: | 156.18 |
Molecular Formula: | C8H12O3 |
Canonical SMILES: | CCOC(=O)C1CCC(=O)C1 |
InChI: | InChI=1S/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6H,2-5H2,1H3/t6-/m0/s1 |
InChI Key: | VGJWAMLZUUGEQY-LURJTMIESA-N |
References: | Brenna, et al. Green Chemistry, vol 19, Issue 21, P:5122-5130 (2017). |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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