AG0093KX

105224-04-2 | 1-(3-Methyl-1H-pyrazol-4-yl)ethanone

AG0093KX

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CAS Number	105224-04-2
Catalog Number	AG0093KX(AGN-PC-0NW0OG)
Chemical Name	1-(3-Methyl-1H-pyrazol-4-yl)ethanone
IUPAC Name	1-(5-methyl-1H-pyrazol-4-yl)ethanone
InChI	InChI=1S/C6H8N2O/c1-4-6(5(2)9)3-7-8-4/h3H,1-2H3,(H,7,8)
InChI Key	MITHGUSEVJOZDH-UHFFFAOYSA-N
MDL Number	MFCD09035528
Molecular Formula	C6H8N2O
Molecular Weight	124.1405
SMILES	CC(=O)c1c[nH]nc1C
Synonyms	105224-04-2, 1-(5-Methyl-1H-pyrazol-4-yl)ethanone, 1-(5-methyl-1H-pyrazol-4-yl)ethan-1-one, 1-(3-METHYL-1H-PYRAZOL-4-YL)-ETHANONE, 1-(3-methyl-1H-pyrazol-4-yl)Ethanone, AC1Q1JEF, SCHEMBL6155580, 4-Acetyl-3-methyl-1H-pyrazole, CTK5J9827, CTK8G5014, MITHGUSEVJOZDH-UHFFFAOYSA-N, 4180AF, MFCD09035528, STL433369, ZINC15442858, AKOS003672688, AKOS004119687, MCULE-1368213261, NE21013, 1-(3-methyl-2H-pyrazol-4-yl)ethanone, AJ-67432, AJ-67433, AM806502, AS-39547, DA-15944, AB0222011, 1-(3-Methyl-1H-pyrazol-4-yl)ethan-1-one, BB 0261601, CS-0058347, FT-0748412, EN300-49562, Y-4811, Z-8708, 1-(5-Methyl-1H-pyrazol-4-yl)ethanone, AldrichCPR, Ethanone, 1-(3-methyl-1H-pyrazol-4-yl)- (9CI), Z1245633302, C6H8N2O, (1-methyl-3-pyrrolidinyl)acetic acid,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.064g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.143g/mol
Monoisotopic Mass	124.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P301+P312+P330
UN Code	\N

Certificate of Analysis

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