4-(hydroxymethyl)cyclohexanone - CAS 38580-68-6
Catalog: |
BB023708 |
Product Name: |
4-(hydroxymethyl)cyclohexanone |
CAS: |
38580-68-6 |
Synonyms: |
4-(hydroxymethyl)-1-cyclohexanone; 4-(hydroxymethyl)cyclohexan-1-one |
IUPAC Name: | 4-(hydroxymethyl)cyclohexan-1-one |
Description: | 4-(hydroxymethyl)cyclohexanone (CAS# 38580-68-6) is a reagent used for the preparation of indazoles and benzisoxazoles containing cyclohexylazetidine moieties which are CCR2 antagonists with good hERG selectivity. |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | C1CC(=O)CCC1CO |
InChI: | InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2 |
InChI Key: | KHMBXNKCMNGLKG-UHFFFAOYSA-N |
Boiling Point: | 239.8 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.054 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08056334 |
LogP: | 0.73800 |
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-113429377-A | Degradable resin monomer containing fluorine-free photoacid generator and preparation method and application thereof | 20210623 |
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WO-2019210828-A1 | Bcl-2 INHIBITORS | 20180429 |
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Complexity: | 99.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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