4-Ethyl-5-methylisoxazol-3-ol - CAS 932-12-7

Catalog:	BB040807
Product Name:	4-Ethyl-5-methylisoxazol-3-ol
CAS:	932-12-7
Synonyms:	4-ethyl-5-methyl-3-isoxazolone; 4-ethyl-5-methyl-1,2-oxazol-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-ethyl-5-methyl-1,2-oxazol-3-one
Description:	4-Ethyl-5-methylisoxazol-3-ol (CAS# 932-12-7 ) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C6H9NO2
Canonical SMILES:	CCC1=C(ONC1=O)C
InChI:	InChI=1S/C6H9NO2/c1-3-5-4(2)9-7-6(5)8/h3H2,1-2H3,(H,7,8)
InChI Key:	KXGZTAWPKXXEJT-UHFFFAOYSA-N
LogP:	1.25100

Publication Number	Title	Priority Date
US-2020131144-A1	Amine or (thio)amide containing lxr modulators	20170718
US-8466148-B2	1,2-disubstituted heterocyclic compounds	20080625
DE-4401159-A1	Piperazine and piperidine isoxazole derivatives	19930119
JP-H06247965-A	Piperazine- and piperidine isoxazole derivatives	19930119
LT-3180-B	Agrochemical compositins and methods employing 3-hydroxy-5-methylisoxazole	19920507

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Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.06332853
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9