5-Phenylisoxazole-4-carboxylic acid - CAS 76344-95-1

Catalog:	BB035555
Product Name:	5-Phenylisoxazole-4-carboxylic acid
CAS:	76344-95-1
Synonyms:	5-phenyl-1,2-oxazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-phenyl-1,2-oxazole-4-carboxylic acid
Description:	5-Phenylisoxazole-4-carboxylic acid (CAS# 76344-95-1) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C10H7NO3
Canonical SMILES:	C1=CC=C(C=C1)C2=C(C=NO2)C(=O)O
InChI:	InChI=1S/C10H7NO3/c12-10(13)8-6-11-14-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:	VUVDFZMYJYNLCH-UHFFFAOYSA-N
Boiling Point:	372.728 °C at 760 mmHg
Density:	1.32 g/cm³
MDL:	MFCD05865189
LogP:	2.03980

Publication Number	Title	Priority Date
US-10934261-B2	Calpain modulators and therapeutic uses thereof	20160928
US-2014171430-A1	Disubstituted octahydropyrrolo [3,4-c] pyrroles as orexin receptor modulators	20110420
US-9586962-B2	Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators	20110420
WO-2012145581-A1	Disubstituted octahy-dropyrrolo [3,4-c] pyrroles as orexin receptor modulators	20110420
AU-2010310595-A1	Disubstituted octahy - dropyrrolo [3,4-c] pyrroles as orexin receptor modulators	20091023

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Isoxazoles

[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate

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

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.042593085
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6