4-methylisoxazole-5-carboxylic acid - CAS 261350-46-3

Name: 4-methylisoxazole-5-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019146
Product Name:	4-methylisoxazole-5-carboxylic acid
CAS:	261350-46-3
Synonyms:	4-methyl-5-isoxazolecarboxylic acid; 4-methyl-1,2-oxazole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methyl-1,2-oxazole-5-carboxylic acid
Description:	4-methylisoxazole-5-carboxylic acid (CAS# 261350-46-3) is a useful research chemical.
Molecular Weight:	127.10
Molecular Formula:	C5H5NO3
Canonical SMILES:	CC1=C(ON=C1)C(=O)O
InChI:	InChI=1S/C5H5NO3/c1-3-2-6-9-4(3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:	RITPLLYUVXGBFT-UHFFFAOYSA-N
Boiling Point:	310 °C
Purity:	95 %
Density:	1.348 g/cm³
Appearance:	White solid
MDL:	MFCD08235209
LogP:	0.68120

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
CN-110167944-A	Substituted pyrazolo azepine * -4- ketone and its purposes as phosphodiesterase inhibitors	20161212
US-2019276462-A1	[1,2,4]triazolo[1,5‐a]pyrimidine compounds as pde2 inhibitors	20161102
EP-3535267-B1	[1,2,4]triazolo[1,5-a]pyrimidine derivatives as pde2 inhibitors	20161102

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.026943022
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.026943022
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6