AG0061BE

68776-57-8 | Isoxazole-3-carbonitrile

AG0061BE

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WARNING This product is not for human or veterinary use.

CAS Number	68776-57-8
Catalog Number	AG0061BE(AGN-PC-03REN7)
Chemical Name	Isoxazole-3-carbonitrile
IUPAC Name	1,2-oxazole-3-carbonitrile
InChI	InChI=1S/C4H2N2O/c5-3-4-1-2-7-6-4/h1-2H
InChI Key	QUBXULZTCLXFRV-UHFFFAOYSA-N
MDL Number	MFCD09833404
Molecular Formula	C4H2N2O
Molecular Weight	94.0715
SMILES	N#CC1=NOC=C1
Synonyms	ISOXAZOLE-3-CARBONITRILE, 68776-57-8, 1,2-OXAZOLE-3-CARBONITRILE, Cyanoisoxazole, 3-CYANOISOXAZOLE, 3-Isoxazolecarbonitrile, CTK2F2760, DTXSID20627036, QUBXULZTCLXFRV-UHFFFAOYSA-N, 0622AC, ANW-63656, isoxazole-3-carbonitrile, AldrichCPR, MFCD09833404, ZINC22009492, AKOS012323504, MCULE-2092442780, PB32775, KS-000007C0, AJ-80401, AK-78540, AN-16306, BC221926, SC-26980, DB-003381, TC-152401, FT-0733492, C-2043, 776I578, C4H2N2O, 3-Isoxazolecarbonitrile (6CI,7CI,9CI),

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	94.017g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	94.073g/mol
Monoisotopic Mass	94.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number