Ethyl 2-Hydroxycyclohexanecarboxylate - CAS 3444-72-2
Catalog: |
BB022140 |
Product Name: |
Ethyl 2-Hydroxycyclohexanecarboxylate |
CAS: |
3444-72-2 |
Synonyms: |
2-hydroxy-1-cyclohexanecarboxylic acid ethyl ester; ethyl 2-hydroxycyclohexane-1-carboxylate |
IUPAC Name: | ethyl 2-hydroxycyclohexane-1-carboxylate |
Description: | Ethyl 2-Hydroxycyclohexanecarboxylate (CAS# 3444-72-2 ) is a useful research chemical. |
Molecular Weight: | 172.22 |
Molecular Formula: | C9H16O3 |
Canonical SMILES: | CCOC(=O)C1CCCCC1O |
InChI: | InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3 |
InChI Key: | WOGRTPJVNNCUKN-UHFFFAOYSA-N |
Boiling Point: | 251.4 ℃ at 760 mmHg |
Density: | 1.093 g/cm3 |
MDL: | MFCD00832060 |
LogP: | 1.10060 |
Publication Number | Title | Priority Date |
EP-3541804-A1 | Cycloalkyl substituted triazole compounds as agonists of the apj receptor | 20161116 |
US-2019290648-A1 | Cycloalkyl substituted triazole compounds as agonists of the apj receptor | 20161116 |
WO-2018093577-A1 | Cycloalkyl substituted triazole compounds as agonists of the apj receptor | 20161116 |
US-11020395-B2 | Cycloalkyl substituted triazole compounds as agonists of the APJ receptor | 20161116 |
US-2018022732-A1 | Compounds useful for treating disorders related to ret | 20160722 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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