AG000H3M

115913-30-9 | Ethanone, 1,1'-bicyclo[1.1.1]pentane-1,3-diylbis-

AG000H3M

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CAS Number	115913-30-9
Catalog Number	AG000H3M(AGN-PC-0NGV7T)
Chemical Name	Ethanone, 1,1'-bicyclo[1.1.1]pentane-1,3-diylbis-
IUPAC Name	1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
InChI	InChI=1S/C9H12O2/c1-6(10)8-3-9(4-8,5-8)7(2)11/h3-5H2,1-2H3
InChI Key	VBZKYGFCGJCPCT-UHFFFAOYSA-N
MDL Number	MFCD23164149
Molecular Formula	C9H12O2
Molecular Weight	152.1904
SMILES	CC(C1(C2)CC2(C(C)=O)C1)=O
Synonyms	115913-30-9, 1,1'-(bicyclo[1.1.1]pentane-1,3-diyl)diethanone, 1-{3-acetylbicyclo[1.1.1]pentan-1-yl}ethan-1-one, 1-(3-Acetyl-1-Bicyclo[1.1.1]Pentanyl)Ethanone, AK170385, 1,3-Diacetylbicyclo[1.1.1]pentane, SCHEMBL9142207, KS-000004GW, MFCD23164149, ZINC38312192, 1,3-Diacetylbicyclo(1,1,1)pentane, AKOS024255976, CS-W000136, FCH2007908, SB11706, AS-33996, OR317272, TZ000604, FT-0696325, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis-ethanone, Ethanone, 1,1'-bicyclo[1.1.1]pentane-1,3-diylbis-, 1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone, AldrichCPR, CID11159413, 1-(1-acetyl-3-bicyclo[1.1.1]pentyl)ethanone,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.193g/mol
Monoisotopic Mass	152.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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