AG003D49

5366-49-4 | 1-Tosylpropan-2-one

AG003D49

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CAS Number	5366-49-4
Catalog Number	AG003D49(AGN-PC-0JLRXO)
Chemical Name	1-Tosylpropan-2-one
EC Number	226-353-2
IUPAC Name	1-(4-methylphenyl)sulfonylpropan-2-one
InChI	InChI=1S/C10H12O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6H,7H2,1-2H3
InChI Key	NDQXJNHOGLQSMB-UHFFFAOYSA-N
MDL Number	MFCD00026240
Molecular Formula	C10H12O3S
Molecular Weight	212.2655
SMILES	CC(CS(=O)(C1=CC=C(C)C=C1)=O)=O
Synonyms	5366-49-4, 4-Toluenesulfonylacetone, 1-Tosylpropan-2-one, 1-[(4-Methylphenyl)sulfonyl]acetone, 1-(p-Tolylsulfonyl)-2-propanone, 2-Propanone, 1-(p-tolylsulfonyl)-, p-Toluenesulfonylacetone, (p-Tolylsulphonyl)acetone, 1-(4-methylbenzenesulfonyl)propan-2-one, 1-(4-methylphenyl)sulfonylpropan-2-one, 2-Propanone, 1-[(4-methylphenyl)sulfonyl]-, NDQXJNHOGLQSMB-UHFFFAOYSA-N, 1-((4-methylphenyl)sulfonyl)acetone, Tosylaceton, 1-tosylacetone, EINECS 226-353-2, ACMC-1APIM, (p-Tolylsulfonyl)acetone, Maybridge1_000204, (2-Tolylsulfonyl) acetone, AC1L2X5J, AC1Q6TY0, SCHEMBL455924, CTK3J0182, HMS542B06, KS-00003KAI, ZINC67337, DTXSID20201895, ALBB-008884, 5158AE, MFCD00026240, SBB049617, STK500442, AKOS003245263, 1-(Toluene-4-sulfonyl)-propan-2-one, FS-1060, MCULE-5780108755, RTR-018985, TRA0050761, VZ29757, 1-(4-methylphenyl)sulfonyl-2-propanone, 1-(4-methylphenylsulfonyl)-2-propanone, 1-(toluene-4-sulfonyl)-propane-2-one, 1-[(4-Methylphenyl)sulfonyl]acetone #, ZB002567, 1-[(4-methylphenyl)sulfonyl]propan-2-one, DB-052371, TR-018985, FT-0604677, R1555, ST45021300, EN300-75879, A829717, I01-10371, Z57600574, C10H12O3S, CID79327, AR-1E5143, C10-H12-O3-S, ZINC00067337, ACN-055680, 2-Propanone, 1-((4-methylphenyl)sulfonyl)-, 5454-57-9,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.263g/mol
Monoisotopic Mass	212.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number