4-Oxoazetidine-2-carboxylic Acid - CAS 98019-65-9

Catalog:	BB042089
Product Name:	4-Oxoazetidine-2-carboxylic Acid
CAS:	98019-65-9
Synonyms:	4-oxo-2-azetidinecarboxylic acid; 4-oxoazetidine-2-carboxylic acid

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Computed Properties

IUPAC Name:	4-oxoazetidine-2-carboxylic acid
Description:	4-Oxoazetidine-2-carboxylic Acid (CAS# 98019-65-9) is a useful research chemical.
Molecular Weight:	115.09
Molecular Formula:	C4H5NO3
Canonical SMILES:	C1C(NC1=O)C(=O)O
InChI:	InChI=1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)
InChI Key:	YSPMLLKKKHCTBN-UHFFFAOYSA-N
Boiling Point:	489.4 °C at 760 mmHg
Density:	1.519 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00798160
LogP:	-0.76460

Publication Number	Title	Priority Date
CN-112010889-A	Preparation method of 4-hydroxy-2-azetidinone compound	20200914
KR-20200118088-A	Therapeutic compounds and compositions	20180207
CN-107892662-A	It is a kind ofï¼ˆ3R, 4Sï¼‰The production method of the aza cyclo-butanone of 3 acetoxyl group, 4 phenyl 2	20171027
AU-2017294969-A1	Heteroaromatic modulators of the retinoid-related orphan receptor gamma	20160713
CA-3030370-A1	Heteroaromatic modulators of the retinoid-related orphan receptor gamma	20160713

PMID	Publication Date	Title	Journal
22930334	20121021	Ring splitting of azetidin-2-ones via radical anions	Organic & biomolecular chemistry
23023683	20120928	An expeditious iodine-catalyzed synthesis of 3-pyrrole-substituted 2-azetidinones	Molecules (Basel, Switzerland)
22799571	20120823	Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid	The journal of physical chemistry. A
22806996	20120820	An expeditious route to eight-membered heterocycles by nickel-catalyzed cycloaddition: low-temperature C(sp)2-C(sp)3 bond cleavage	Angewandte Chemie (International ed. in English)
22583618	20120615	Kappa agonist CovX-Bodies	Bioorganic & medicinal chemistry letters

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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

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.026943022
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	115.026943022
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1