AG00367M

2716-23-6 | Bicyclo[2.2.2]octan-2-one

AG00367M

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CAS Number	2716-23-6
Catalog Number	AG00367M(AGN-PC-0JMPMM)
Chemical Name	Bicyclo[2.2.2]octan-2-one
IUPAC Name	bicyclo[2.2.2]octan-2-one
InChI	InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2
InChI Key	VEPYQCZRVLNDBC-UHFFFAOYSA-N
MDL Number	MFCD24445536
Molecular Formula	C8H12O
Molecular Weight	124.1803
NSC Number	120486
SMILES	C12C(CC(CC1)CC2)=O
Synonyms	Bicyclo[2.2.2]octan-2-one, 2716-23-6, Bicyclo[2.2.2]octanone, Bicyclo(2.2.2)octanone, bicyclo[2.2.2]octan-3-one, VEPYQCZRVLNDBC-UHFFFAOYSA-N, Bicyclo(2.2.2)octan-2-one, NSC120486, AC1L3B5G, ghl.PD_Mitscher_leg0.105, SCHEMBL439771, bicyclo[2.2.2]octan-7-one, CTK1A3362, DTXSID80181629, ZINC1709960, MFCD24445536, AKOS022176738, CS-W018644, DS-7947, NSC-120486, KS-00000S14, AJ-30752, AK144709, ST2412676, (1beta,4beta)-Bicyclo[2.2.2]octane-2-one, Z1379488333, InChI=1/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H, CID137688,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.089g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.183g/mol
Monoisotopic Mass	124.089g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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