Methyl 2-(3-Isoxazolyl)acetate - CAS 146098-75-1

Catalog:	BB010037
Product Name:	Methyl 2-(3-Isoxazolyl)acetate
CAS:	146098-75-1
Synonyms:	2-(3-isoxazolyl)acetic acid methyl ester; methyl 2-(1,2-oxazol-3-yl)acetate

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Computed Properties

IUPAC Name:	methyl 2-(1,2-oxazol-3-yl)acetate
Description:	Methyl 2-(3-Isoxazolyl)acetate (CAS# 146098-75-1 ) is a useful research chemical.
Molecular Weight:	141.12
Molecular Formula:	C6H7NO3
Canonical SMILES:	COC(=O)CC1=NOC=C1
InChI:	InChI=1S/C6H7NO3/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3
InChI Key:	YWEBQYUNWUOOOB-UHFFFAOYSA-N
LogP:	0.39010

Publication Number	Title	Priority Date
JP-5928479-B2	Method for producing organic triol borate salt	20111202
JP-WO2013080583-A1	Method for producing organic triol borate salt	20111202
WO-2013080583-A1	Method for producing organic triol borate salt	20111202
AU-2006301377-A1	Imidazo benzodiazepine derivatives	20051011
AU-2006301377-B2	Imidazo benzodiazepine derivatives	20051011

PMID	Publication Date	Title	Journal
20939898	20101012	Macrophage migration inhibitory factor regulates interleukin-6 production by facilitating nuclear factor-kappa B activation during Vibrio vulnificus infection	BMC immunology

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Complexity:	126
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:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2