5-Cyclopropylisoxazole-4-carboxylic acid - CAS 124845-04-1

Catalog:	BB006002
Product Name:	5-Cyclopropylisoxazole-4-carboxylic acid
CAS:	124845-04-1
Synonyms:	5-cyclopropyl-1,2-oxazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-cyclopropyl-1,2-oxazole-4-carboxylic acid
Description:	5-Cyclopropylisoxazole-4-carboxylic acid (CAS# 124845-04-1) is a useful research chemical.
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	C1CC1C2=C(C=NO2)C(=O)O
InChI:	InChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChI Key:	KIJMAOMSRMPYIY-UHFFFAOYSA-N
Boiling Point:	317.6 °C at 760 mmHg
Melting Point:	161-165 °C (lit.)
Purity:	95 %
Density:	1.445 g/cm³
Appearance:	Solid
MDL:	MFCD06798100
LogP:	1.25020

Publication Number	Title	Priority Date
US-2020241414-A1	Resist composition and patterning process	20190129
US-2020192222-A1	Resist composition and patterning process	20181218
AU-2018320672-A1	Quinoxaline derivatives as adenosine receptor antagonists	20170821
AU-2018320673-A1	Bezimidazole derivatives as adenosine receptor antagonists	20170821
CA-3073333-A1	Bezimidazole derivatives as adenosine receptor antagonists	20170821

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Related Functional Groups

Isoxazoles

[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[40279-32-1]
Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5