Ethyl 2-(3-Oxocyclohexyl)acetate - CAS 66427-26-7
Catalog: |
BB033033 |
Product Name: |
Ethyl 2-(3-Oxocyclohexyl)acetate |
CAS: |
66427-26-7 |
Synonyms: |
2-(3-oxocyclohexyl)acetic acid ethyl ester; ethyl 2-(3-oxocyclohexyl)acetate |
IUPAC Name: | ethyl 2-(3-oxocyclohexyl)acetate |
Description: | Ethyl 2-(3-Oxocyclohexyl)acetate (CAS# 66427-26-7 ) is a useful research chemical. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CCOC(=O)CC1CCCC(=O)C1 |
InChI: | InChI=1S/C10H16O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h8H,2-7H2,1H3 |
InChI Key: | BOGWBOVLDFSVSI-UHFFFAOYSA-N |
Boiling Point: | 265.5 °C at 760 mmHg |
Density: | 1.04 g/cm3 |
MDL: | MFCD00205585 |
LogP: | 1.69890 |
Publication Number | Title | Priority Date |
EP-3215141-A2 | Immunoregulatory agents | 20141105 |
US-2019092729-A1 | Immunoregulatory agents | 20141105 |
WO-2016073738-A2 | Immunoregulatory agents | 20141105 |
WO-2014194242-A2 | Flt3 inhibitors and uses thereof | 20130531 |
EP-2872144-A1 | Irak inhibitors and uses thereof | 20120711 |
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 |
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