Ethyl 2-cyclohexanoneacetate - CAS 24731-17-7
Catalog: |
BB018604 |
Product Name: |
Ethyl 2-cyclohexanoneacetate |
CAS: |
24731-17-7 |
Synonyms: |
ethyl 2-(2-oxocyclohexyl)acetate |
IUPAC Name: | ethyl 2-(2-oxocyclohexyl)acetate |
Description: | Ethyl 2-cyclohexanoneacetate (CAS# 24731-17-7) is a useful research chemical. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CCOC(=O)CC1CCCCC1=O |
InChI: | InChI=1S/C10H16O3/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h8H,2-7H2,1H3 |
InChI Key: | ZZWSNYNCRUZSPR-UHFFFAOYSA-N |
Boiling Point: | 265.5 ℃ at 760 mmHg |
Density: | 1.04 g/cm3 |
MDL: | MFCD00001638 |
LogP: | 1.69890 |
Publication Number | Title | Priority Date |
CN-111253246-A | Acyl acid derivative and preparation method and medical application thereof | 20200316 |
WO-2021104486-A1 | Compound containing benzene ring and application thereof | 20191129 |
WO-2021007422-A1 | Direct food contact inks | 20190711 |
WO-2017191130-A2 | Arginase inhibitors and their therapeutic applications | 20160504 |
AU-2015267909-A1 | Novel compounds | 20140528 |
PMID | Publication Date | Title | Journal |
21909677 | 20120101 | Ethambutol-mediated cell wall modification in recombinant Corynebacterium glutamicum increases the biotransformation rates of cyclohexanone derivatives | Bioprocess and biosystems engineering |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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