AG00I4L6

23735-46-8 | Ethanone, 1-bicyclo[2.2.2]oct-2-yl-

AG00I4L6

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CAS Number	23735-46-8
Catalog Number	AG00I4L6(AGN-PC-03E97K)
Chemical Name	Ethanone, 1-bicyclo[2.2.2]oct-2-yl-
IUPAC Name	1-(2-bicyclo[2.2.2]octanyl)ethanone
InChI	InChI=1S/C10H16O/c1-7(11)10-6-8-2-4-9(10)5-3-8/h8-10H,2-6H2,1H3
InChI Key	UWZJCLRMLYBUSN-UHFFFAOYSA-N
MDL Number	MFCD24689648
Molecular Formula	C10H16O
Molecular Weight	152.2334
SMILES	CC(C1C2CCC(CC2)C1)=O
Synonyms	1-(Bicyclo[2.2.2]octan-2-yl)ethanone, 23735-46-8, Ethanone, 1-bicyclo[2.2.2]oct-2-yl-, 1-{bicyclo[2.2.2]octan-2-yl}ethan-1-one, 1-(Bicyclo[2.2.2]octan-2-yl)ethan-1-one, SCHEMBL15973426, CTK0J5458, DTXSID30503211, KS-00000SN5, MFCD24689648, AKOS024462965, DS-3221, 1-(2-bicyclo[2.2.2]octanyl)ethanone, AK162851, ST24037556, Z2230865039, Ketone, bicyclo[2.2.2]oct-2-yl methyl,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.12g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.237g/mol
Monoisotopic Mass	152.12g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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