AG003PLW

27132-23-6 | Dimethyl 2,2-diethylmalonate

AG003PLW

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CAS Number	27132-23-6
Catalog Number	AG003PLW(AGN-PC-0JLLJF)
Chemical Name	Dimethyl 2,2-diethylmalonate
EC Number	248-242-8
IUPAC Name	dimethyl 2,2-diethylpropanedioate
InChI	InChI=1S/C9H16O4/c1-5-9(6-2,7(10)12-3)8(11)13-4/h5-6H2,1-4H3
InChI Key	AYBLPISRXMEMBV-UHFFFAOYSA-N
MDL Number	MFCD00008444
Molecular Formula	C9H16O4
Molecular Weight	188.2209
SMILES	O=C(OC)C(CC)(CC)C(OC)=O
Synonyms	Dimethyl diethylmalonate, 27132-23-6, Dimethyl 2,2-diethylmalonate, Propanedioic acid, diethyl-, dimethyl ester, dimethyl 2,2-diethylpropanedioate, Diethylmalonic Acid Dimethyl Ester, AYBLPISRXMEMBV-UHFFFAOYSA-N, Propanedioic acid, 2,2-diethyl-, 1,3-dimethyl ester, dimethyl 2,2-diethylpropane-1,3-dioate, EINECS 248-242-8, DimethylDiethylmalonate, AC1L3LVB, ACMC-1CL6P, SCHEMBL809243, Dimethyl diethylmalonate, 99%, Jsp005283, Dimethyl 2,2-diethylmalonate #, DTXSID8074025, CTK4F9130, ZINC407111, ANW-26131, MFCD00008444, SBB061227, AKOS009156973, MCULE-9754098495, TRA0051041, ACM27132236, KS-0000132I, AJ-22609, CC-26956, ZB013812, 2,2-diethylpropanedioic acid dimethyl ester, TC-114876, D0292, FT-0693239, ST51047271, A818925, C-34573, J-016677, I14-53695, Propanedioic acid,2,2-diethyl-, 1,3-dimethyl ester, InChI=1/C9H16O4/c1-5-9(6-2,7(10)12-3)8(11)13-4/h5-6H2,1-4H, Dimethyl diethyl malonate, Diethyl Dimethyl Malonate, C9H16O4, 3,5-di(Trifluoromethyl)benzonitrile, C9-H16-O4, CID117935, 1619-62-1,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.223g/mol
Monoisotopic Mass	188.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227
Packing Group	Ⅲ
Precautionary statements	P210-P280-P370+P378-P403+P235-P501
UN Code	UN 3272

Certificate of Analysis

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