AG019EQ3

862129-72-4 | 4-methylsulfonylcyclohexan-1-one

AG019EQ3

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CAS Number	862129-72-4
Catalog Number	AG019EQ3(AGN-PC-0H7CAN)
Chemical Name	4-methylsulfonylcyclohexan-1-one
IUPAC Name	4-methylsulfonylcyclohexan-1-one
InChI	InChI=1S/C7H12O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h7H,2-5H2,1H3
InChI Key	HZDUWRDWIUHEME-UHFFFAOYSA-N
MDL Number	MFCD21648605
Molecular Formula	C7H12O3S
Molecular Weight	176.2334
SMILES	S(=O)(=O)(C)C1CCC(=O)CC1
Synonyms	4-(Methylsulfonyl)cyclohexanone, 862129-72-4, 4-methanesulfonyl-cyclohexanone, 4-methanesulfonylcyclohexan-1-one, 4-(Methylsulfonyl)cyclohexan-1-one, Cyclohexanone, 4-(methylsulfonyl)-, 4-methanesulfonylcyclohexanone, 4-methanesulphonylcyclohexanone, SCHEMBL1202897, 4-methylsulfonylcyclohexan-1-one, HZDUWRDWIUHEME-UHFFFAOYSA-N, KS-00000R8R, 2527AJ, MFCD21648605, AKOS028110396, ZINC115489940, ACN-045304, CS-0058306, C7H12O3S,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.051g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.23g/mol
Monoisotopic Mass	176.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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