Methyl 5-(2-Furyl)isoxazole-3-carboxylate - CAS 33545-41-4

Catalog:	BB021765
Product Name:	Methyl 5-(2-Furyl)isoxazole-3-carboxylate
CAS:	33545-41-4
Synonyms:	5-(2-furanyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate
Description:	Methyl 5-(2-Furyl)isoxazole-3-carboxylate (CAS# 33545-41-4) is a useful research chemical.
Molecular Weight:	193.16
Molecular Formula:	C9H7NO4
Canonical SMILES:	COC(=O)C1=NOC(=C1)C2=CC=CO2
InChI:	InChI=1S/C9H7NO4/c1-12-9(11)6-5-8(14-10-6)7-3-2-4-13-7/h2-5H,1H3
InChI Key:	VTEZSUGFQUZAQW-UHFFFAOYSA-N
LogP:	1.72120

Publication Number	Title	Priority Date
AU-2007268749-A1	Novel heterocyclic compound or salt thereof and intermediate thereof	20060526
AU-2007268749-B2	Novel heterocyclic compound or salt thereof and intermediate thereof	20060526
CA-2652501-A1	Novel heterocyclic compound or salt thereof and intermediate thereof	20060526
CA-2652501-C	Novel heterocyclic compound or salt thereof and intermediate thereof	20060526
EP-2022793-A1	Novel heterocyclic compound or salt thereof and intermediate thereof	20060526

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Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0375077
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.0375077
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3