(S)-2-(Hydroxymethyl)-1,4-dioxane - CAS 406913-93-7
Catalog: |
BB024621 |
Product Name: |
(S)-2-(Hydroxymethyl)-1,4-dioxane |
CAS: |
406913-93-7 |
Synonyms: |
[(2S)-1,4-dioxan-2-yl]methanol; [(2S)-1,4-dioxan-2-yl]methanol |
IUPAC Name: | [(2S)-1,4-dioxan-2-yl]methanol |
Description: | (S)-2-(Hydroxymethyl)-1,4-dioxane (CAS# 406913-93-7) is a useful research chemical. |
Molecular Weight: | 118.13 |
Molecular Formula: | C5H10O3 |
Canonical SMILES: | C1COC(CO1)CO |
InChI: | InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m0/s1 |
InChI Key: | CMEPUAROFJSGJN-YFKPBYRVSA-N |
Density: | 1.102 g/cm3 |
LogP: | -0.60590 |
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 |
WO-2021173523-A1 | Hot melt extruded solid dispersions containing a bcl2 inhibitor | 20200224 |
WO-2021133817-A1 | 1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases | 20191227 |
WO-2021122415-A1 | Furoindazole derivatives | 20191219 |
WO-2021119254-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
WO-2021119265-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
PMID | Publication Date | Title | Journal |
17287124 | 20070401 | Synthesis of dioxane-based antiviral agents and evaluation of their biological activities as inhibitors of Sindbis virus replication | Bioorganic & medicinal chemistry |
Complexity: | 64.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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