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Methyl 5-(2-Thienyl)isoxazole-3-carboxylate

Methyl 5-(2-Thienyl)isoxazole-3-carboxylate - CAS 517870-23-4

Catalog:	BB027589
Product Name:	Methyl 5-(2-Thienyl)isoxazole-3-carboxylate
CAS:	517870-23-4
Synonyms:	5-thiophen-2-yl-3-isoxazolecarboxylic acid methyl ester; methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
Description:	Methyl 5-(2-Thienyl)isoxazole-3-carboxylate (CAS# 517870-23-4) is a useful research chemical.
Molecular Weight:	209.22
Molecular Formula:	C9H7NO3S
Canonical SMILES:	COC(=O)C1=NOC(=C1)C2=CC=CS2
InChI:	InChI=1S/C9H7NO3S/c1-12-9(11)6-5-7(13-10-6)8-3-2-4-14-8/h2-5H,1H3
InChI Key:	HNUBQXDECCWAJW-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD03778976
LogP:	2.18970

Publication Number	Title	Priority Date
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
US-2018273906-A1	Microvesicle and stem cell compositions for therapeutic applications	20140417
CN-103788081-A	Chemical reaction micromolecules and preparation method for chemical reaction micromolecular gel	20140115
CN-103788081-B	The preparation method of a kind of chemical reactivity small molecules and gel thereof	20140115

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Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.01466426
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.01466426
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9