isoxazole-4-carboxylic acid - CAS 6436-62-0

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

Catalog:	BB032450
Product Name:	isoxazole-4-carboxylic acid
CAS:	6436-62-0
Synonyms:	4-isoxazolecarboxylic acid; 1,2-oxazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2-oxazole-4-carboxylic acid
Description:	isoxazole-4-carboxylic acid (CAS# 6436-62-0) is a useful research chemical.
Molecular Weight:	113.07
Molecular Formula:	C4H3NO3
Canonical SMILES:	C1=C(C=NO1)C(=O)O
InChI:	InChI=1S/C4H3NO3/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
InChI Key:	LYPXTDXYEQEIIN-UHFFFAOYSA-N
Boiling Point:	321.2 °C at 760 mmHg
Density:	1.449 g/cm³
Appearance:	Off-white to light yellow to red powder or crystalline powder
LogP:	0.37280

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2012202153-A1	Resist composition and patterning process	20110209
US-2012196861-A1	Il17 and ifn-gamma inhibition for the treatment of autoimmune inflammation	20110128
US-2012196862-A1	Il17 and ifn-gamma inhibition for the treatment of autoimmune inflammation	20110128
WO-2012101263-A1	Il17 and ifn-gamma inhibition for the treatment of autoimmune inflammation	20110128
WO-2012083953-A1	Ingenol-3-acylates iii and ingenol-3-carbamates	20101222

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.011292958
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.011292958
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1