Ethyl 2-oxo-1-cyclooctanecarboxylate - CAS 4017-56-5
Catalog: |
BB024349 |
Product Name: |
Ethyl 2-oxo-1-cyclooctanecarboxylate |
CAS: |
4017-56-5 |
Synonyms: |
ethyl 2-oxocyclooctane-1-carboxylate |
IUPAC Name: | ethyl 2-oxocyclooctane-1-carboxylate |
Description: | Ethyl 2-oxo-1-cyclooctanecarboxylate (CAS# 4017-56-5) is a useful research chemical. |
Molecular Weight: | 196.24 |
Molecular Formula: | C11H18O3 |
Canonical SMILES: | CCOC(=O)C1CCCCCCC1=O |
InChI: | InChI=1S/C11H18O3/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h9H,2-8H2,1H3 |
InChI Key: | OJCDCHCBNASPBS-UHFFFAOYSA-N |
Boiling Point: | 85-87 °C / 0.1 mmHg (lit.) |
Purity: | ≥ 97 % |
Density: | 1.04 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00144268 |
LogP: | 2.08900 |
Publication Number | Title | Priority Date |
WO-2019142208-A1 | Ambient temperature curable non-isocyanate polyhydroxyalkylurethane moieties with aldehyde cross linker | 20180116 |
BR-102017026445-A2 | compound, formulation and fragrance product, and methods for enhancing, enhancing or modifying a fragrance formulation and for neutralizing an unpleasant odor in an airspace or substrate | 20161220 |
EP-3339278-A1 | Novel organoleptic compounds | 20161220 |
EP-3339278-B1 | Novel organoleptic compounds | 20161220 |
ES-2743377-T3 | Novel organoleptic compounds | 20161220 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.125594432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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