AG003M46

893638-37-4 | 5-(Pyridin-2-yl)isoxazole-3-carboxylic acid

AG003M46

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CAS Number	893638-37-4
Catalog Number	AG003M46(AGN-PC-0166GR)
Chemical Name	5-(Pyridin-2-yl)isoxazole-3-carboxylic acid
IUPAC Name	5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C9H6N2O3/c12-9(13)7-5-8(14-11-7)6-3-1-2-4-10-6/h1-5H,(H,12,13)
InChI Key	QFFJIQXUQHIATM-UHFFFAOYSA-N
MDL Number	MFCD07377113
Molecular Formula	C9H6N2O3
Molecular Weight	190.1555
SMILES	O=C(C1=NOC(C2=NC=CC=C2)=C1)O
Synonyms	893638-37-4, 5-(2-Pyridyl)isoxazole-3-carboxylic Acid, 5-(Pyridin-2-yl)isoxazole-3-carboxylic acid, 5-(2-pyridinyl)-3-Isoxazolecarboxylic acid, SCHEMBL4410859, CTK8E1811, KS-00000CQ0, 6245AJ, MFCD07377113, ZINC19726652, AKOS002658044, TRA0082530, 5-(2-Pyridyl)isoxazole-3-carboxylicAcid, AJ-74472, AS-32121, DA-18205, SY015175, TC-307762, FT-0736935, ST24044266, 5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid, Z-4292, MFCD07377113 (97+%), 5-(pyridin-2-yl)-1,2-oxazole-3-carboxylic acid, C9H6N2O3, 22117-85-7,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.158g/mol
Monoisotopic Mass	190.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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