AG000AIA

114080-93-2 | isoxazolo[4,5-b]pyridin-3-amine

AG000AIA

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CAS Number	114080-93-2
Catalog Number	AG000AIA(AGN-PC-0NYDCI)
Chemical Name	isoxazolo[4,5-b]pyridin-3-amine
IUPAC Name	[1,2]oxazolo[4,5-b]pyridin-3-amine
InChI	InChI=1S/C6H5N3O/c7-6-5-4(10-9-6)2-1-3-8-5/h1-3H,(H2,7,9)
InChI Key	ZNDOHNLYFBVMMM-UHFFFAOYSA-N
MDL Number	MFCD13193314
Molecular Formula	C6H5N3O
Molecular Weight	135.1234
SMILES	NC1=NOC2=CC=CN=C21
Synonyms	isoxazolo[4,5-b]pyridin-3-amine, 114080-93-2, [1,2]oxazolo[4,5-b]pyridin-3-amine, Isoxazolo[4,5-b]pyridin-3-ylamine, ACMC-209ypk, SCHEMBL2395997, CTK0H0529, KS-00000HQB, DTXSID50552564, Isoxazolo[4,5-b]pyridine-3-amine, ANW-49254, MFCD13193314, ZINC25924587, AKOS006339655, CS-W006620, PB21304, RP20183, AJ-82161, AK-30698, AM802949, BR-30698, CJ-17437, DS-11311, 3-AMINO-ISOXAZOLO[4,5-B]PYRIDINE, AB0034854, ST2413184, TC-137999, 4CH-008567, FT-0725045, X9078, S-5716, J-521613, I14-14972, C6H5N3O, A12419,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	135.126g/mol
Monoisotopic Mass	135.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number