AG001O4B

15568-85-1 | 1,3-Dioxane-4,6-dione, 5-(methoxymethylene)-2,2-dimethyl-

AG001O4B

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CAS Number	15568-85-1
Catalog Number	AG001O4B(AGN-PC-0077UV)
Chemical Name	1,3-Dioxane-4,6-dione, 5-(methoxymethylene)-2,2-dimethyl-
IUPAC Name	5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI	InChI=1S/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
InChI Key	DVLSQHLXPRYYRC-UHFFFAOYSA-N
MDL Number	MFCD00599240
Molecular Formula	C8H10O5
Molecular Weight	186.1620
NSC Number	662768
SMILES	O=C(/C1=C\\OC)OC(C)(C)OC1=O
Synonyms	5-(methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, methoxymethylene cyclic isopropylidene malonate, methoxymethylene Meldrum's acid, 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 15568-85-1, Methoxymethylene meldrum's acid, 5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 5-(methoxymethylene)-2,2-dimethyl-, NSC662768, 5-Methoxymethylene-2,2-dimethyl-[1,3]dioxane-4,6-dione, methoxymethylenedimethyldioxanedione, PubChem18584, Methoxymethylene cyclic isopropylidene malonate, SCHEMBL796744, AC1L47P5, methoxy methylene Meldrum's acid, CTK4C8786, DTXSID10165952, DVLSQHLXPRYYRC-UHFFFAOYSA-N, BCP14499, CS-M0456, KS-00000E6X, ZINC1638658, ANW-47106, BBL102304, FCH920700, MFCD00599240, QC-650, SBB090386, STL556103, AKOS000281352, 1L-352S, AM62648, CM-2206, NSC-662768, RP11063, TRA0161650, AJ-28540, AK-47051, CJ-26386, SC-27725, SY007080, AB0022510, AX8101327, DB-006918, ST2406029, TC-070350, 4CH-000529, FT-0080197, FT-0650838, W3387, K-4914, MFCD00599240 (97+%), J-516366, 2-(Methoxymethylene)malonic acid isopropylidene ester, I14-17508, 2, 2-dimethyl-5-methoxymethylene-1,3-dioxan-4,6-dione, 2,2-dimethyl 4,6-dioxo-5-methoxymethylene-1.3-dioxane, 2,2-dimethyl-5-methoxymethylene-1,3-dioxan-4,6-dione, 2,2-dimethyl-5-methoxymethylene-1,3-dioxane-4,6-dione, 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-, 5-methoxymethylidene-2,2-dimethyl-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione,5-(methoxymethylene)-2,2-dimethyl-, InChI=1/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H, C8H10O5, C8-H10-O5, CID152111, ACN-051943, A3420,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.053g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.163g/mol
Monoisotopic Mass	186.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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