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5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid

5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid - CAS 1326814-81-6

Catalog:	BB007613
Product Name:	5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid
CAS:	1326814-81-6
Synonyms:	5-(1-methyl-2-pyrrolyl)-3-isoxazolecarboxylic acid; 5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxylic acid
Description:	5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid (CAS# 1326814-81-6) is a useful research chemical.
Molecular Weight:	192.17
Molecular Formula:	C9H8N2O3
Canonical SMILES:	CN1C=CC=C1C2=CC(=NO2)C(=O)O
InChI:	InChI=1S/C9H8N2O3/c1-11-4-2-3-7(11)8-5-6(9(12)13)10-14-8/h2-5H,1H3,(H,12,13)
InChI Key:	BRRLYKWPVBTLOR-UHFFFAOYSA-N
LogP:	1.37830

Publication Number	Title	Priority Date
EP-1971600-A1	Isoxazole derivatives and use thereof	20051230
EP-1971600-B1	Isoxazole derivatives and use thereof	20051230
ES-2436103-T3	Isoxazole derivatives and use thereof	20051230
KR-101394245-B1	Isoxazole derivatives and uses thereof	20051230
US-2009131336-A1	Isoxazole Derivatives and Use Thereof	20051230

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Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.05349212
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.05349212
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7