AG0034PX

105-50-0 | Diethyl 1,3-acetonedicarboxylate

AG0034PX

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CAS Number	105-50-0
Catalog Number	AG0034PX(AGN-PC-0JL6Y9)
Chemical Name	Diethyl 1,3-acetonedicarboxylate
EC Number	203-302-2
IUPAC Name	diethyl 3-oxopentanedioate
InChI	InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3
InChI Key	ZSANYRMTSBBUCA-UHFFFAOYSA-N
MDL Number	MFCD00009200
Molecular Formula	C9H14O5
Molecular Weight	202.2045
NSC Number	9013
SMILES	O=C(CC(OCC)=O)CC(OCC)=O
UNII	Q0CC9NL00V
Synonyms	Diethyl 1,3-acetonedicarboxylate, 105-50-0, Diethyl 3-oxopentanedioate, Diethyl 3-oxoglutarate, 1,5-diethyl 3-oxopentanedioate, Pentanedioic acid, 3-oxo-, diethyl ester, Ethyl acetonedicarboxylate, Ethyl 3-oxoglutarate, Diethyl acetone-1,3-dicarboxylate, Diethyl acetonedicarboxylate, Diethyl acetone dicarboxylate, 3-Oxopentanedioic acid diethyl ester, Acetonedicarboxylic acid diethyl ester, 3-Oxoglutaric acid, diethyl ester, Diethyl 1,3-acetone dicarboxylate, NSC 9013, MFCD00009200, Pentanedioic acid, 3-oxo-, 1,5-diethyl ester, UNII-Q0CC9NL00V, Acetonedicarboxylic acid, diethyl ester, Diethyl .beta.-oxoglutarate, Q0CC9NL00V, diethyl 3-oxopentane-1,5-dioate, ZSANYRMTSBBUCA-UHFFFAOYSA-N, Butanoic acid, (ethoxycarbonyl)-3-oxo-, ethyl ester, 3-oxo-pentanedioic acid diethyl ester, 3-Oxopentanedioic acid, diethyl ester, Glutaric acid, 3-oxo-, diethyl ester, Diethyl 1,3-acetonedicarboxylate, 95%, Diethyl beta-oxoglutarate, Diethylacetone-1,3-dicarboxylate, Diethyl acetonedicarboxylate (VAN), EINECS 203-302-2, diethyl-3-oxoglutarate, AI3-06002, diethyl 3-oxopentandioate, diethyl-3-oxo- glutarate, AC1Q34NJ, diethyl acetone-dicarboxylate, Diethyl .beta.-ketoglutarate, SCHEMBL155563, AC1L24I2, Diethyl1,3-Acetonedicarboxylate, Jsp000516, 2,2-diethyl-3-oxopentanedioate, DTXSID1059317, KS-00000BFA, 3-Oxoglutaric Acid Diethyl Ester, NSC9013, 3-oxo-glutaric acid diethyl ester, ACT04085, EBD33004, NSC-9013, STR00630, ZINC6385602, CD0014, STL183290, AKOS009156832, AC-3562, MCULE-8796793749, NE10637, RP25928, Diethyl 1,3-acetonedicarboxylate, 96%, AK110932, AN-12832, SC-16417, SY005414, 1,3-Acetonedicarboxylic Acid Diethyl Ester, TR-001145, A0055, Acetone-1,3-dicarboxylic acid diethyl ester, FT-0624813, FT-0698210, ST50825477, EN300-36016, Glutaric acid, 3-oxo-, diethyl ester (8CI), MFCD00009200 (95+%), I14-0938, J-001438, J-520261, F0001-0106, Z1250132448, Diethyl 1,3-acetonedicarboxylate, technical, >=90% (GC), InChI=1/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H, 31096-04-5, Butanoic acid, ethyl ester, Glutaric acid, diethyl ester, Pentanedioic acid, diethyl ester, C9H14O5, CID66045, C9-H14-O5, ACN-031805, A1987, Diethyl 1,3-acetonedicarboxylate, 97% - 250G 250g,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.084g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.206g/mol
Monoisotopic Mass	202.084g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227
Packing Group
Precautionary statements	P210e-P280a-P370+P378a-P501a-P210-P280-P403+P235-P501
UN Code	\N

Certificate of Analysis

Lot Number