AG0002ST

1007518-49-1 | 1-(1-Methyl-1H-pyrazol-4-yl)propan-1-one

AG0002ST

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CAS Number	1007518-49-1
Catalog Number	AG0002ST(AGN-PC-0WB3O0)
Chemical Name	1-(1-Methyl-1H-pyrazol-4-yl)propan-1-one
IUPAC Name	1-(1-methylpyrazol-4-yl)propan-1-one
InChI	InChI=1S/C7H10N2O/c1-3-7(10)6-4-8-9(2)5-6/h4-5H,3H2,1-2H3
InChI Key	SAWHUKVXJMOLKI-UHFFFAOYSA-N
MDL Number	MFCD08060047
Molecular Formula	C7H10N2O
Molecular Weight	138.1671
SMILES	CCC(C1=CN(C)N=C1)=O
Synonyms	1-(1-methyl-1H-pyrazol-4-yl)propan-1-one, 1007518-49-1, 1-(1-methylpyrazol-4-yl)propan-1-one, 1-propanone, 1-(1-methyl-1H-pyrazol-4-yl)-, SCHEMBL12221255, CTK3J9216, DTXSID70629681, ALBB-028447, BBL034962, MFCD08060047, SBB024992, STK351936, ZINC12396421, AKOS003672683, MCULE-3121441561, AJ-62052, CS-0058331, ST45133898, 1-(1-Methyl-1H-pyrazol-4-yl)-1-propanone, EN300-88721, Y-3581, 1-(1-Methyl-1H-pyrazol-4-yl)propan-1-one, AldrichCPR, Z1262398500,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.17g/mol
Monoisotopic Mass	138.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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