AG00H48X

887481-28-9 | 1-(4-methyloxan-4-yl)ethan-1-one

AG00H48X

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CAS Number	887481-28-9
Catalog Number	AG00H48X(AGN-PC-0WCXD5)
Chemical Name	1-(4-methyloxan-4-yl)ethan-1-one
IUPAC Name	1-(4-methyloxan-4-yl)ethanone
InChI	InChI=1S/C8H14O2/c1-7(9)8(2)3-5-10-6-4-8/h3-6H2,1-2H3
InChI Key	SMABWJMSNURPPV-UHFFFAOYSA-N
MDL Number	MFCD24712853
Molecular Formula	C8H14O2
Molecular Weight	142.1956
SMILES	CC(C1(CCOCC1)C)=O
Synonyms	1-(4-methyloxan-4-yl)ethan-1-one, 887481-28-9, 1-(4-Methyltetrahydro-2H-pyran-4-yl)ethanone, SCHEMBL11923804, 1-(4-methyloxan-4-yl)ethanone, KS-000007UN, MFCD24712853, AKOS025291251, ZINC149952584, FCH2033297, AK171711, AS-51960, CS-0052871, FT-0724410, Ethanone, 1-(tetrahydro-4-methyl-2H-pyran-4-yl)-, 1-(tetrahydro-4-methyl-2H-pyran-4-yl)Ethanone,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.099g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.198g/mol
Monoisotopic Mass	142.099g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number