1-Acetyl-3-hydroxyazetidine - CAS 118972-96-6
Catalog: |
BB004357 |
Product Name: |
1-Acetyl-3-hydroxyazetidine |
CAS: |
118972-96-6 |
Synonyms: |
1-(3-hydroxy-1-azetidinyl)ethanone; 1-(3-hydroxyazetidin-1-yl)ethanone |
IUPAC Name: | 1-(3-hydroxyazetidin-1-yl)ethanone |
Description: | 1-Acetyl-3-hydroxyazetidine (CAS# 118972-96-6) is a useful research chemical. |
Molecular Weight: | 115.13 |
Molecular Formula: | C5H9NO2 |
Canonical SMILES: | CC(=O)N1CC(C1)O |
InChI: | InChI=1S/C5H9NO2/c1-4(7)6-2-5(8)3-6/h5,8H,2-3H2,1H3 |
InChI Key: | CSJAIVZAJZXEAW-UHFFFAOYSA-N |
Boiling Point: | 275.912 °C at 760 mmHg |
Density: | 1.275 g/cm3 |
LogP: | -0.85270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020222011-A1 | Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response | 20190430 |
US-2020108075-A1 | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
WO-2020072695-A1 | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
TW-202023558-A | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
CN-113166062-A | 8-aminoisoquinoline compounds and uses thereof | 20181003 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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