AG00IA23

56309-94-5 | Cyclohexanone, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-

AG00IA23

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CAS Number	56309-94-5
Catalog Number	AG00IA23(AGN-PC-0JWF0H)
Chemical Name	Cyclohexanone, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
IUPAC Name	4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
InChI	InChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2
InChI Key	ZNWLFTSPNBLXGL-UHFFFAOYSA-N
MDL Number	MFCD00809704
Molecular Formula	C14H22O3
Molecular Weight	238.3227
SMILES	[H]C1(CCC(=O)CC1)C1CCC2(CC1)OCCO2
Synonyms	56309-94-5, Ketoketal, 4-(1,4-Dioxaspiro[4.5]decan-8-yl)cyclohexanone, 8-(4-Oxocyclohexyl)-1,4-dioxaspiro[4.5]decane, 4-(1,4-dioxaspiro[4.5]dec-8-yl)cyclohexanone, Bicyclohexane-4,4'-dione Monoethylene Ketal, 1,1'-Bicyclohexane-4,4'dione monoethylene ketal, BAS 00451572, 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one, Bicyclohexane-4,4-dione Monoethylene Ketal, Dicyclohexane-4,4'-dione monoethylene ketal, MFCD00809704, AK-49918, Dicyclohexane-4,4'dione Monoethylene ketal, Cyclohexanone, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-, 4,4 inverted exclamation mark -Dicyclohexanedione monoethylene ketal, 4-(1,4-dioxaspiro[4.5]dec-8-yl)cyclohexan-1-one, ACMC-209lrk, AC1LFY43, AC1Q6NO5, Oprea1_121109, Oprea1_868255, KSC494A9L, SCHEMBL422994, CTK3J4095, DTXSID10355639, ZNWLFTSPNBLXGL-UHFFFAOYSA-N, HMS1672N02, ZINC322457, KS-000010QR, ANW-32478, CD-442, SBB059452, AKOS000618687, FCH4090723, MCULE-9408557924, RP28332, AC-26253, AJ-19242, CJ-02723, O504, SC-71756, SY029814, Bicyclohexane-4,4'dione monoethylene ketal, AX8052268, BB0295873, bicyclohexane-4,4'-dione monoethyleneacetal, RT-001857, ST2417930, B3405, FT-0652524, ST50373014, MFCD00809704 (95%), 4-(1,4-dioxaspiro[4,5]dec-8-yl)cyclohexanone, 4-(1,4-dioxaspiro[4,5]dec-8-yl)-cyclohexanone, 8-(4-oxocyclohexyl)-1,4-dioxaspiro[4,5]decane, C-31534, 4-(1,4-Dioxa-spiro[4.5]dec-8-yl)-cyclohexanone, 4-(1,4-dioxaspiro[4,5]decane-8-yl)cyclohexanone, 4-(1,4-dioxaspiro[4.5]decan-8-yl)-cyclohexanone, I14-0619, J-521620, C14H22O3, AR-1F5553, CID810913, 4,4-Dicyclohexanedione monoethylene ketal, EC 423-860-2, 4-(1,4-dioxa-spiro(4.5)dec-8-yl)-cyclohexanone, Cyclohexanone, 4-(1,4-dioxaspiro(4.5)dec-8-yl)-, 56711-13-8,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.157g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.327g/mol
Monoisotopic Mass	238.157g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H412
Packing Group
Precautionary statements	P261-P272-P273-P280-P302+P352+P333+P313+P363-P501
UN Code

Certificate of Analysis

Lot Number