AG004QMK

85920-63-4 | 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

AG004QMK

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CAS Number	85920-63-4
Catalog Number	AG004QMK(AGN-PC-0AAQZY)
Chemical Name	5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
IUPAC Name	5-(1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI	InChI=1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h9H,1-3H3
InChI Key	WIIDJHLROTYVRD-UHFFFAOYSA-N
MDL Number	MFCD18072503
Molecular Formula	C8H10O5
Molecular Weight	186.1620
SMILES	CC(O)=C1C(=O)OC(C)(C)OC1=O
Synonyms	5-(1-HYDROXYETHYLIDENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE, 85920-63-4, CHEMBL3427136, AK103046, 5-acetyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one, SCHEMBL8194669, CTK5F5976, KS-00000QBA, DTXSID00715884, 3394AC, ANW-65163, BDBM50088043, MFCD18072503, AKOS016005094, ZINC100041710, FCH3491885, AN-35668, AX8234585, DB-076490, TC-153908, FT-0696450, ST24044160, 920H634, 2-(1-Hydroxyethylidene)malonic acid isopropylidene ester, Acetyl meldrum's acid, C8H10O5, ACN-051988, CID10899358,

Complexity	278
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	1
Isotope Atom Count	0
Molecular Weight	186.163g/mol
Monoisotopic Mass	186.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	72.8A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number