Ethyl trans-4-Hydroxycyclohexanecarboxylate - CAS 3618-04-0
Catalog: |
BB022897 |
Product Name: |
Ethyl trans-4-Hydroxycyclohexanecarboxylate |
CAS: |
3618-04-0 |
Synonyms: |
4-hydroxy-1-cyclohexanecarboxylic acid ethyl ester; ethyl 4-hydroxycyclohexane-1-carboxylate |
IUPAC Name: | ethyl 4-hydroxycyclohexane-1-carboxylate |
Description: | trans-Ethyl 4-hydroxycyclohexanecarboxylate acts as a reagent in the discovery of Mer kinase inhibitors for the treatment of pediatric acute lymphoblastic leukemia, in the structural activity relationship study of piperidine-based derivatives as novel influenza virus inhibitors. |
Molecular Weight: | 172.22 |
Molecular Formula: | C9H16O3 |
Canonical SMILES: | CCOC(=O)C1CCC(CC1)O |
InChI: | InChI=1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3 |
InChI Key: | BZKQJSLASWRDNE-UHFFFAOYSA-N |
LogP: | 1.10060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113004341-A | PNO ligand containing chiral ferrocene and axial chiral biphenol and application thereof | 20210308 |
WO-2021203010-A1 | Pyrrolo[2,3-f]indazole and 2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (aatd) | 20200403 |
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Complexity: | 148 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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