AG003MW9

57351-99-2 | 5-Methylisoxazole-3-carbonitrile

AG003MW9

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CAS Number	57351-99-2
Catalog Number	AG003MW9(AGN-PC-04G0J3)
Chemical Name	5-Methylisoxazole-3-carbonitrile
IUPAC Name	5-methyl-1,2-oxazole-3-carbonitrile
InChI	InChI=1S/C5H4N2O/c1-4-2-5(3-6)7-8-4/h2H,1H3
InChI Key	JTPIMYCMWLOEDD-UHFFFAOYSA-N
MDL Number	MFCD09064940
Molecular Formula	C5H4N2O
Molecular Weight	108.0981
SMILES	N#CC1=NOC(C)=C1
Synonyms	5-Methylisoxazole-3-carbonitrile, 57351-99-2, 5-METHYL-3-ISOXAZOLECARBONITRILE, 5-methyl-1,2-oxazole-3-carbonitrile, 5-Methyl-isoxazole-3-carbonitrile, MFCD09064940, 3-Cyano-5-methylisoxazole, SCHEMBL523674, CTK5A6704, DTXSID50640177, JTPIMYCMWLOEDD-UHFFFAOYSA-N, 3-Cyano-5-methylisoxazole, 97%, 3-Isoxazolecarbonitrile,5-methyl-, 3-Isoxazolecarbonitrile, 5-methyl-, KS-00000F7H, 5-?Methylisoxazole-?3-?carbonitrile, ZINC12370156, AKOS006343980, ACN-051846, DS-4995, RP00453, TRA0013719, AJ-61746, AK117451, AM100973, CJ-13965, SC-83413, AB0004415, DB-072287, 4CH-006672, FT-0687886, ST24033058, V0794, C-1980, J-517777, I14-99557, Z1741981545, C5H4N2O, 5-Methylisoxazole-3-carbonitrile, 97% - 1G 1g,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	108.032g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	108.1g/mol
Monoisotopic Mass	108.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3276

Certificate of Analysis

Lot Number