AG003PJF

7283-69-4 | Diisobutyl fumarate

AG003PJF

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CAS Number	7283-69-4
Catalog Number	AG003PJF(AGN-PC-0U1EL2)
Chemical Name	Diisobutyl fumarate
EC Number	230-706-6
IUPAC Name	bis(2-methylpropyl) (E)-but-2-enedioate
InChI	InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+
InChI Key	RSRICHZMFPHXLE-AATRIKPKSA-N
MDL Number	MFCD00152430
Molecular Formula	C12H20O4
Molecular Weight	228.2848
NSC Number	58655
SMILES	O=C(OCC(C)C)/C=C/C(OCC(C)C)=O
UNII	0M3MJB158J
Synonyms	Diisobutyl fumarate, 7283-69-4, FUMARIC ACID, DIISOBUTYL ESTER, Diisobutylester kyseliny fumarove, 2-Butenedioic acid (E)-, bis(2-methylpropyl) ester, EINECS 230-706-6, NSC 58655, UNII-0M3MJB158J, Diisobutylester kyseliny fumarove [Czech], Fumaric Acid Diisobutyl Ester, AI3-32716, 0M3MJB158J, 2-Butenedioic acid, bis(2-methylpropyl) ester, (E)-, 2-Butenedioic acid (2Z)-, bis(2-methylpropyl) ester, Diisobutyl fumarate, 98%, SCHEMBL317108, SCHEMBL429885, AC1NT065, DTXSID9065734, WLN: 1Y&1OV1 2U, Diisobutyl (2E)-2-butenedioate, RSRICHZMFPHXLE-AATRIKPKSA-N, 2-Butenedioic acid diisobutyl ester, NSC58655, ZINC4727131, 6013AF, MFCD00152430, NSC-58655, AKOS015913865, LS-69839, bis(2-methylpropyl) (E)-but-2-enedioate, TC-124995, D3915, 1,4-BIS(2-METHYLPROPYL) BUT-2-ENEDIOATE, 2-Butenedioic acid (E), di-2-methylpropyl ester, I14-42811, I14-53624, 2-Butenedioic acid (E)-, bis(2-methylpropyl) ester (9CI), Diisobutyl maleate, Piperazine estrone sulfate, Estrone sulphate piperazine, C12H20O4, C12-H20-O4, CID5373437, Estra-1,3,5(10)-trien-17-one 3-sulphate piperazine (1:1), 14234-82-3,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	228.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.288g/mol
Monoisotopic Mass	228.136g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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