AG002U2G

2756-87-8 | 2-Butenedioic acid (2E)-, 1-methyl ester

AG002U2G

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CAS Number	2756-87-8
Catalog Number	AG002U2G(AGN-PC-0R3CNY)
Chemical Name	2-Butenedioic acid (2E)-, 1-methyl ester
IUPAC Name	(E)-4-methoxy-4-oxobut-2-enoic acid
InChI	InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
InChI Key	NKHAVTQWNUWKEO-NSCUHMNNSA-N
MDL Number	MFCD00063174
Molecular Formula	C5H6O4
Molecular Weight	130.0987
SMILES	O=C(OC)/C=C/C(O)=O
UNII	45IUB1PX8R
Synonyms	methyl hydrogen fumarate, methylhydrogenfumarate, Monomethyl fumarate, 2756-87-8, 4-methoxy-4-oxobut-2-enoic acid, Methyl hydrogen fumarate, mono-Methyl fumarate, (E)-4-methoxy-4-oxobut-2-enoic acid, Fumaric acid monomethyl ester, UNII-45IUB1PX8R, 45IUB1PX8R, CHEMBL589586, NKHAVTQWNUWKEO-NSCUHMNNSA-N, (2E)-3-(methoxycarbonyl)prop-2-enoic acid, 44836-34-2, MFCD00063174, AK114632, EINECS 220-412-6, AC1NSSIL, Fumaric acid 1-methyl, Monomethyl fumarate [USAN], mono-Methyl fumarate, 97%, SCHEMBL60132, SCHEMBL60133, AC1Q5T88, GTPL5786, 2-Butenedioic acid 1-methyl ester, 3052-50-4, BCP18454, ZINC4416885, ZX-AT021868, BDBM50342426, SBB065854, WHO 11163, (E)-2-Butendioic acid, methyl ester, AKOS015892642, 2(E)-Butenedioic acid 1-methyl ester, ACM2756878, FCH2581289, FCH4488676, OR59971, MRF-0000756, (2E)-4-Methoxy-4-oxobut-2-enoic acid, AJ-51086, AS-15353, BBV-50428330, O997, (E)-But-2-enedioic acid monomethyl ester, (2E)-4-Methoxy-4-oxo-2-butenoic acid #, AX8140326, TC-166693, B7674, CS-0026484, M2413, ST24029150, 56M878, M-3444, I04-0574, J-017996, J-522708, I14-91544, mono-Methyl fumarate, certified reference material, TraceCERT(R), Methyl fumarate, monomethylfumarate, D0S3XI, Fumaric acid, methyl ester, Fumaric acid, monomethyl ester, Maleic Acid Monomethyl Ester, C5H6O4, C5-H6-O4, Monomethyl fumarate, 98% - 1G 1g, CID5369209, 2-Butenedioic acid (E)-, monomethyl ester, MMF,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	130.027g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.099g/mol
Monoisotopic Mass	130.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number