Ethyl 2-[trans-4-(Chlorocarbonyl)cyclohexyl]acetate - CAS 880104-41-6
Catalog: |
BB038716 |
Product Name: |
Ethyl 2-[trans-4-(Chlorocarbonyl)cyclohexyl]acetate |
CAS: |
880104-41-6 |
Synonyms: |
2-(4-carbonochloridoylcyclohexyl)acetic acid ethyl ester; ethyl 2-(4-carbonochloridoylcyclohexyl)acetate |
IUPAC Name: | ethyl 2-(4-carbonochloridoylcyclohexyl)acetate |
Description: | Ethyl 2-[trans-4-(Chlorocarbonyl)cyclohexyl]acetate (CAS# 880104-41-6 ) is a useful research chemical. |
Molecular Weight: | 232.70 |
Molecular Formula: | C11H17ClO3 |
Canonical SMILES: | CCOC(=O)CC1CCC(CC1)C(=O)Cl |
InChI: | InChI=1S/C11H17ClO3/c1-2-15-10(13)7-8-3-5-9(6-4-8)11(12)14/h8-9H,2-7H2,1H3 |
InChI Key: | BPUZBYSSUDGZSO-UHFFFAOYSA-N |
LogP: | 2.51140 |
Publication Number | Title | Priority Date |
WO-2020061112-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
AU-2018236275-A1 | Farnesoid X receptor agonists and uses thereof | 20170315 |
US-2014088124-A1 | Imidazole derivatives | 20110602 |
WO-2012164071-A1 | Imidazole derivatives | 20110602 |
EP-2207775-B1 | 4-benzylamino-1-carboxyacyl-piperidine derivatives as cetp inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis | 20071105 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.0866221 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.0866221 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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