AG0034R8

5164-76-1 | Dimethyl glutaconate, E/Z mixture

AG0034R8

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CAS Number	5164-76-1
Catalog Number	AG0034R8(AGN-PC-0WAJNZ)
Chemical Name	Dimethyl glutaconate, E/Z mixture
IUPAC Name	dimethyl (E)-pent-2-enedioate
InChI	InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+
InChI Key	SKCGFFOFYXLNCG-ONEGZZNKSA-N
MDL Number	MFCD00066240
Molecular Formula	C7H10O4
Molecular Weight	158.1519
SMILES	O=C(OC)C=CCC(=O)OC
Synonyms	Dimethyl glutaconate, dimethyl pent-2-enedioate, 5164-76-1, Dimethyl 2-pentenoate, (E)-dimethyl pent-2-enedioate, dimethyl (E)-pent-2-enedioate, dimethyl (2E)-pent-2-enedioate, 2-Pentenedioic acid, dimethyl ester, 1,5-dimethyl pent-2-enedioate, SKCGFFOFYXLNCG-ONEGZZNKSA-N, Glutaconic acid, dimethyl ester, AC1NRRIK, AC1Q5YZS, CHEMBL3247959, 2-Pentenedioic acid dimethyl ester, Dimethyl (2E)-2-pentenedioate #, ZINC1656175, BBL011528, MFCD00066240, STL146644, AKOS005720779, DS-8030, NE37975, Dimethyl glutaconate, >=97.0% (GC), 41527-39-3, BC677567, TC-167130, ST24046626, 2-Pentenedioic acid, dimethyl ester, (2E)-, I14-1935, C7H10O4, AR-1I5693, CID5271579, 5461-68-7,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	158.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.153g/mol
Monoisotopic Mass	158.058g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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