AG001OMS

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CAS Number	15625-88-4
Catalog Number	AG001OMS(AGN-PC-0JKJFE)
Chemical Name	Ethanone, 1-(1H-1,2,4-triazol-1-yl)-
IUPAC Name	1-(1,2,4-triazol-1-yl)ethanone
InChI	InChI=1S/C4H5N3O/c1-4(8)7-3-5-2-6-7/h2-3H,1H3
InChI Key	GLGDTYAVPSJOSQ-UHFFFAOYSA-N
MDL Number	MFCD18807045
Molecular Formula	C4H5N3O
Molecular Weight	111.1020
SMILES	CC(N1N=CN=C1)=O
Synonyms	15625-88-4, 1-Acetyl-1,2,4-triazole, 1-(1H-1,2,4-triazol-1-yl)ethan-1-one, 1-ACETYL-1H-1,2,4-TRIAZOLE, 1-[1,2,4]Triazol-1-ylethanone, 1-(1H-1,2,4-Triazol-1-yl)ethanone, Ethanone,1-(1H-1,2,4-triazol-1-yl)-, N-acetyl-1,2,4-triazol, AC1L1D6P, SCHEMBL9427893, CTK4C9012, DTXSID70166066, GLGDTYAVPSJOSQ-UHFFFAOYSA-N, 1-acetyl-1H-[1,2,4]triazole, 1H-1,2,4-triazole, 1-acetyl-, ZINC2018690, 1-(1,2,4-triazol-1-yl)ethanone, AKOS026674963, FCH2569915, FK-0043, KS-0000255T, OR310948, Ethanone, 1-(1H-1,2,4-triazol-1-yl)-, InChI=1/C4H5N3O/c1-4(8)7-3-5-2-6-7/h2-3H,1H, CID27422, 1H-1,2,4-Triazole, 1-acetyl- (6CI,7CI,8CI,9CI),

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.043g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.104g/mol
Monoisotopic Mass	111.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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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