Methyl 3-Methylisoxazole-5-carboxylate - CAS 1004-96-2

Catalog:	BB000238
Product Name:	Methyl 3-Methylisoxazole-5-carboxylate
CAS:	1004-96-2
Synonyms:	3-methyl-5-isoxazolecarboxylic acid methyl ester; methyl 3-methyl-1,2-oxazole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-methyl-1,2-oxazole-5-carboxylate
Description:	Methyl 3-Methylisoxazole-5-carboxylate (CAS# 1004-96-2) is a useful research chemical.
Molecular Weight:	141.12
Molecular Formula:	C6H7NO3
Canonical SMILES:	CC1=NOC(=C1)C(=O)OC
InChI:	InChI=1S/C6H7NO3/c1-4-3-5(10-7-4)6(8)9-2/h3H,1-2H3
InChI Key:	MBRNUSBFRMCWIZ-UHFFFAOYSA-N
Boiling Point:	227.6 °C at 760 mmHg
Density:	1.179 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD10699057
LogP:	0.76960

Publication Number	Title	Priority Date
WO-2021009068-A1	N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme	20190712
TW-202106671-A	Modulators of the integrated stress pathway	20190430
US-2019315732-A1	Modulators of proteolysis and associated methods of use	20180404
US-2020129627-A1	Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20161223
EP-3541805-B1	Heteroaryl-substituted triazoles as apj receptor agonists	20161116

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Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.042593085
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1