AG009DXF

Name: 3-Ethylisoxazole-5-carbonitrile
Brand: Angene Chemical
SKU: AG009DXF

1215295-98-9 | 3-Ethylisoxazole-5-carbonitrile

AG009DXF

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CAS Number	1215295-98-9
Catalog Number	AG009DXF(AGN-PC-0WB5QP)
Chemical Name	3-Ethylisoxazole-5-carbonitrile
IUPAC Name	3-ethyl-1,2-oxazole-5-carbonitrile
InChI	InChI=1S/C6H6N2O/c1-2-5-3-6(4-7)9-8-5/h3H,2H2,1H3
InChI Key	JDLXCIXVOCNMRJ-UHFFFAOYSA-N
MDL Number	MFCD14702888
Molecular Formula	C6H6N2O
Molecular Weight	122.1246
SMILES	N1=C(CC)C=C(C#N)O1
Synonyms	3-Ethylisoxazole-5-carbonitrile, 1215295-98-9, 3-ethyl-1,2-oxazole-5-carbonitrile, 3-ETHYL-5-ISOXAZOLECARBONITRILE, DTXSID30673680, 5-isoxazolecarbonitrile, 3-ethyl-, ALBB-013985, ZX-AN012733, ZX-CM009053, 1202AD, FCH924656, MFCD14702888, ZINC42384271, AKOS005174413, 3-ethyl-5-isoxazolecarbonitrile(SALTDATA, AJ-104366, FT-0683800, Y-7525, I14-26844, C6H6N2O,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	122.127g/mol
Monoisotopic Mass	122.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited