AG001FQ1

141-05-9 | 2-Butenedioic acid (2Z)-, 1,4-diethyl ester

AG001FQ1

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CAS Number	141-05-9
Catalog Number	AG001FQ1(AGN-PC-0PQ8FI)
Chemical Name	2-Butenedioic acid (2Z)-, 1,4-diethyl ester
IUPAC Name	diethyl (Z)-but-2-enedioate
InChI	InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChI Key	IEPRKVQEAMIZSS-WAYWQWQTSA-N
MDL Number	MFCD00009191
Molecular Formula	C8H12O4
Molecular Weight	172.1785
NSC Number	8394
SMILES	C(C=C/C(=O)OCC)(=O)OCC
UNII	G81WQB56OL
Synonyms	diethyl maleate, diethyl maleic acid diester, diethylmaleate, ethyl hydrogen maleate, ethyl maleate, maleic acid diethyl ester, maleic acid, ethyl ester, monoethyl maleate, DIETHYL MALEATE, 141-05-9, Ethyl maleate, Maleic acid, diethyl ester, Maleic acid diethyl ester, Diethylmaleate, 2-Butenedioic acid (Z)-, diethyl ester, diethyl (Z)-but-2-enedioate, diethyl (2Z)-but-2-enedioate, UNII-G81WQB56OL, CCRIS 941, Diethylester kyseliny maleinove, Diethyl maleate, 97%, NSC 8394, EINECS 205-451-9, MFCD00009191, Diethylester kyseliny maleinove [Czech], BRN 1100825, G81WQB56OL, 2-Butenedioic acid (2Z)-, diethyl ester, AI3-00678, CHEBI:68508, 2-Butenedioic acid (2Z)-, 1,4-diethyl ester, IEPRKVQEAMIZSS-WAYWQWQTSA-N, 1,4-diethyl (2Z)-but-2-enedioate, 2-Butenedioic acid, diethyl ester, (Z)-, 2-Butenedioic acid, diethyl ester, (2Z)-, DSSTox_CID_464, DSSTox_RID_75607, DSSTox_GSID_20464, Diethyl (2E)-2-butenedioate, diethyl (2Z)but-2-ene-1,4-dioate, CAS-141-05-9, diethyl but-2-enedioate, WLN: 2OV1U1VO2, 4-02-00-02207 (Beilstein Handbook Reference), (C8-C15) Dialkyl maleates, Fumaric acid, diethyl ester (8CI), C20-C24 Fatty alcohol maleate, 2-Butenedioic acid (2Z)-, C20-24-alkyl esters, AK124413, Diethyl ester of (E)-2-Butenedioic acid, Maleic acid diethyl, 2-Butenedioic acid (2Z)-, di-C8-15-alkyl esters, Diethylmaleate (DEM), 2-Butenedioic acid (2E)-, 1,4-diethyl ester, AC1NRRHH, 2-Butenedioic acid (E)-, diethyl ester (9CI), EC 205-451-9, SCHEMBL60423, 68988-24-9, 71342-75-1, CHEMBL2037000, Diethyl maleate, >=96%, FG, DTXSID8020464, Diethyl (2Z)-2-butenedioate #, NSC8394, InChI=1/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5, ACN-S002422, NSC-8394, Diethyl maleate, analytical standard, Tox21_201512, Tox21_303020, Diethyl ester(E)-2-Butenedioic acid, s4712, SBB060698, (Z)-2-butenedioic acid diethyl ester, AKOS015960830, Diethyl ester(2E)-2-butenedioic acid, ZINC100004207, LS-7331, RP23442, Ethyl maleate, Maleic acid diethyl ester, NCGC00249057-01, NCGC00256390-01, NCGC00259062-01, AN-23187, BC204355, SC-80638, BB0294961, M0010, ST24046560, ST51046830, 2-Butenedioic acid (Z)-, diethyl ester (9CI), A807721, F1908-0131, Diethyl fumarate, Ethyl fumarate, Anti-Psoriaticum, Monoethyl maleate, Ethyl hydrogen maleate, maleic acid, ethyl ester, diethyl maleic acid diester, Fumaric acid, diethyl ester, Diethyl maleate, 97% 1kg, Diethylester kyseliny fumarove, C8H12O4, diethyl (2E)-but-2-enedioate, C8-H12-O4, cis-2-Buten-1,4-disaurediethylester, Diethyl maleate, 97% - 1KG 1kg, 2-Butenedioic acid(E)-,diethyl ester, CID5271566, trans-2-Butenedioic acid diethyl ester, 2-Butenedioic acid (E)-, diethyl ester, 2-Bromo-4-difluoromethoxy-6-nitrotoluene, 2-Butenedioic acid (2E)-, diethyl ester, 2-Butenedioic acid, (Z)-, diethyl ester, 2-Butenedioic acid (2Z)-, dimethyl ester, (2Z)-2-Butenedioic acid, 1,4-diethyl ester, C014476, 1805527-19-8,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319-H412
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number