trans-4-Hydroxycyclohexanecarboxylic Acid - CAS 3685-26-5
Catalog: |
BB023111 |
Product Name: |
trans-4-Hydroxycyclohexanecarboxylic Acid |
CAS: |
3685-26-5 |
Synonyms: |
4-hydroxy-1-cyclohexanecarboxylic acid; 4-hydroxycyclohexane-1-carboxylic acid |
IUPAC Name: | 4-hydroxycyclohexane-1-carboxylic acid |
Description: | trans-4-Hydroxycyclohexylcarboxylic Acid acts as a reagent in the synthetic preparation of pyrazole-pyrimidine preparation as TTK inhibitors and potential antitumors, Preparation and Janus kinase 1 (JAK1)-selective inhibitory activity of benzimidazole derivatives. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | C1CC(CCC1C(=O)O)O |
InChI: | InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) |
InChI Key: | HCFRWBBJISAZNK-UHFFFAOYSA-N |
Boiling Point: | 307.898 °C at 760 mmHg |
Density: | 1.246 g/cm3 |
Appearance: | Solid |
LogP: | 0.62210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21532195 | 20110101 | A novel synthetic approach to very late antigen-4 antagonist trans-4-[1-[[2,5-dichloro-4-(1-methyl-3-indolylcarboxyamide)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid via tert-butyl trans-[(4S)-Methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylate as a key intermediate | Chemical & pharmaceutical bulletin |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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