AG002OOO

2459-05-4 | 2-Butenedioic acid (2E)-, 1-ethyl ester

AG002OOO

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CAS Number	2459-05-4
Catalog Number	AG002OOO(AGN-PC-0R0DLN)
Chemical Name	2-Butenedioic acid (2E)-, 1-ethyl ester
IUPAC Name	(E)-4-ethoxy-4-oxobut-2-enoic acid
InChI	InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
InChI Key	XLYMOEINVGRTEX-ONEGZZNKSA-N
MDL Number	MFCD00002699
Molecular Formula	C6H8O4
Molecular Weight	144.1253
NSC Number	244252
SMILES	CCOC(=O)\C=C\C(O)=O
UNII	Y3W849NG2N
Synonyms	calcium monoethylfumarate, ethyl fumarate, ethyl fumarate, 2 copper salt, ethyl fumarate, 2 ferrium salt, ethyl fumarate, calcium salt, ethyl fumarate, lithium salt, ethyl fumarate, maganeese salt, ethyl fumarate, sodium salt, ethyl fumarate, zinc salt, ethylhydrogenfumarate, fumaric acid monoethyl ester, monoethyl fumarate, zinc monoethylfumarate, 2459-05-4, Monoethyl fumarate, Fumaric acid monoethyl ester, (E)-4-ethoxy-4-oxobut-2-enoic acid, Ethyl hydrogen fumarate, Ethyl fumarate, (E)-4-ethoxy-4-oxo-2-butenoic acid, UNII-Y3W849NG2N, (2E)-4-ethoxy-4-oxobut-2-enoic acid, Fumaric acid, monoethyl ester, Y3W849NG2N, CHEMBL1771637, XLYMOEINVGRTEX-ONEGZZNKSA-N, MFCD00002699, mono-Ethyl fumarate, W-107299, Ethyl hydrogen maleate, (2E)-3-(ethoxycarbonyl)prop-2-enoic acid, but-2-enedioic acid monoethyl ester, 1-Ethyl fumarate, Ethylhydrogenfumarat, (2E)-4-Ethoxy-4-oxo-2-butenoic acid, AK-48066, AC1NSDCU, Fumaric acid, ethyl ester, ETHYL ACID FUMARATE, AC1Q31PZ, mono-Ethyl fumarate, 95%, SCHEMBL60569, fumaric acid mono-ethyl ester, SCHEMBL141140, Monoethyl trans-2-butenedioate, ARONIS023688, BBB/201, 2-Butenedioic acid 1-ethyl ester, ZINC3861006, ZX-AS003440, ZX-AT019126, EINECS 219-544-7, BDBM50342427, NSC244252, SBB065780, STK367237, AKOS000118854, FCH2251065, FCH4510640, NE10213, NSC 524101, NSC-244252, OR59886, (Z)-2-Butenedioic acid monoethyl ester, AJ-46105, AS-12529, BBV-57542984, SC-17455, (2E)-4-Ethoxy-4-oxo-2-butenoic acid #, 2-Butenedioic acid (2E)-, 1-ethyl ester, AX8010026, ST2408096, TR-048022, BB 0216624, CS-0030808, F0359, ST50875372, 59M054, 2-Butenedioic acid (E)-, monoethyl ester (9CI), I04-0295, mono-Ethyl fumarate, certified reference material, TraceCERT(R), Monoethyl maleate, Maleic Acid Monoethyl Ester, 4-ethoxy-4-oxobut-2-enoic acid, C6H8O4, 4-ethoxy-4-oxo-2-butenoic acid, CID5358902, 2-Butenedioic acid (E)-, monoethyl ester, Fumaric acid monoethyl ester, 97% - 10G 10g, 3990-03-2, 3249-53-4,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	144.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.126g/mol
Monoisotopic Mass	144.042g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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