Ethyl 5-Hydroxy-4-isoxazolecarboxylate - CAS 54535-14-7

Catalog:	BB052840
Product Name:	Ethyl 5-Hydroxy-4-isoxazolecarboxylate
CAS:	54535-14-7
Synonyms:	ethyl 5-hydroxy-1,2-oxazole-4-carboxylate; 5-Hydroxy-4-isoxazolecarboxylic acidethylester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 5-oxo-2H-1,2-oxazole-4-carboxylate
Molecular Weight:	157.12
Molecular Formula:	C6H7NO4
Canonical SMILES:	CCOC(=O)C1=CNOC1=O
InChI:	InChI=1S/C6H7NO4/c1-2-10-5(8)4-3-7-11-6(4)9/h3,7H,2H2,1H3
InChI Key:	VRYNOAFUGQRIQV-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

Isoxazoles

[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[1039833-39-0]
3-Cyclobutylisoxazol-5-amine
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate

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:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0375077
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.0375077
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7