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

Technical Data

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Computed Properties

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

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

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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

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