AG003PFD

17216-62-5 | Diethyl 2-(2-cyanoethyl)malonate

AG003PFD

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CAS Number	17216-62-5
Catalog Number	AG003PFD(AGN-PC-0JLWII)
Chemical Name	Diethyl 2-(2-cyanoethyl)malonate
EC Number	241-260-7
IUPAC Name	diethyl 2-(2-cyanoethyl)propanedioate
InChI	InChI=1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
InChI Key	YJJLOESDBPRZIP-UHFFFAOYSA-N
MDL Number	MFCD00001966
Molecular Formula	C10H15NO4
Molecular Weight	213.2304
SMILES	O=C(OCC)C(CCC#N)C(OCC)=O
Synonyms	Diethyl 2-(2-cyanoethyl)malonate, 17216-62-5, Diethyl (2-cyanoethyl)malonate, MFCD00001966, DIETHYL2-(2-CYANOETHYL)MALONATE, 1,3-diethyl 2-(2-cyanoethyl)propanedioate, YJJLOESDBPRZIP-UHFFFAOYSA-N, Diethyl 2-(2-cyanoethyl)-malonate, Propanedioic acid, (2-cyanoethyl)-, diethyl ester, AK-62386, diethyl 2-(2-cyanoethyl)propane-1,3-dioate, C-8750, diethyl(2-cyanoethyl)malonate, EINECS 241-260-7, 2-Cyanoethylmalonic acid diethylester, PubChem14162, AC1L3CQW, ACMC-209e3y, 4,4-Dicarbethoxybutyronitrile, Diethyl 2-(cyanoethyl)malonate, Diethyl=(2-cyanoethyl)malonate, AC1Q63U3, SCHEMBL7055826, CTK4D4138, DTXSID30169210, diethyl 2-(2-cyanoethyl) malonate, ALBB-020541, STR04489, ZINC2140891, ZX-AN036206, ZX-AT020270, 4,4-Bis(ethoxycarbonyl)butyronitrile, 8851AA, ANW-22556, SBB000530, 2-cyanoethylmalonic acid diethyl ester, AKOS002685527, diethyl 2-(2-cyanoethyl)propanedioate, API0002332, LS40929, MCULE-7225074266, OR28758, Diethyl 2-(2-cyanoethyl)malonate, 96%, (2-Cyanoethyl)malonic Acid Diethyl Ester, AJ-33535, CC-26610, CJ-32885, ST044476, 2-(2-Cyanoethyl)malonic acid diethylester, 2-(2-Cyanoethyl)malonic acid diethyl ester, AX8000285, DB-043885, TC-111301, A3792, FT-0604621, ST24033153, A26202, C-11233, I14-1562, F8881-5383, Propanedioic acid,2-(2-cyanoethyl)-, 1,3-diethyl ester, 3-Cyano-2-methylpyridine;3-Pyridinecarbonitrile, 2-methyl-, InChI=1/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H, Diethyl 2-cyanomalonate, 3-Cyano-2-methylpyridine, C10H15NO4, CID87005, AR-1I4872, C10-H15-N-O4, c1153, Propanedioic acid, 2-(2-cyanoethyl)-, 1,3-diethyl ester, 1721-23-9, 17579-36-1,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.1g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.233g/mol
Monoisotopic Mass	213.1g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	76.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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