Methyl 4-Hydroxybicyclo[2.2.2]octane-1-carboxylate - CAS 23062-53-5
Catalog: |
BB017902 |
Product Name: |
Methyl 4-Hydroxybicyclo[2.2.2]octane-1-carboxylate |
CAS: |
23062-53-5 |
Synonyms: |
4-hydroxy-1-bicyclo[2.2.2]octanecarboxylic acid methyl ester; methyl 4-hydroxybicyclo[2.2.2]octane-1-carboxylate |
IUPAC Name: | methyl 4-hydroxybicyclo[2.2.2]octane-1-carboxylate |
Description: | Methyl 4-Hydroxybicyclo[2.2.2]octane-1-carboxylate has been used as a reactant for the synthesis of 4-substituted bicyclo[2.2.2]oct-1-yl fluorides. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | COC(=O)C12CCC(CC1)(CC2)O |
InChI: | InChI=1S/C10H16O3/c1-13-8(11)9-2-5-10(12,6-3-9)7-4-9/h12H,2-7H2,1H3 |
InChI Key: | LUBWUSMZFMBOIQ-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
LogP: | 1.24470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020397760-A1 | Methods of using rad51 inhibitors for treatment of pancreatic cancer | 20190621 |
WO-2020257752-A1 | Methods of using rad51 inhibitors for treatment of pancreatic cancer | 20190621 |
WO-2020247298-A2 | 1-pyrazolyl, 5-, 6- disubstituted indazole derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof | 20190606 |
AU-2018328818-A1 | RAD51 inhibitors | 20170911 |
CA-3075062-A1 | Rad51 inhibitors | 20170911 |
Complexity: | 210 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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