AG003PJU

7283-70-7 | 2-​Butenedioic acid (2E)​-​, 1,​4-​bis(1-​methylethyl) ester

AG003PJU

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CAS Number	7283-70-7
Catalog Number	AG003PJU(AGN-PC-0U1ELH)
Chemical Name	2-​Butenedioic acid (2E)​-​, 1,​4-​bis(1-​methylethyl) ester
IUPAC Name	dipropan-2-yl (E)-but-2-enedioate
InChI	InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3/b6-5+
InChI Key	FNMTVMWFISHPEV-AATRIKPKSA-N
MDL Number	MFCD00545172
Molecular Formula	C10H16O4
Molecular Weight	200.2316
NSC Number	70161
SMILES	C(/C=C/C(OC(C)C)=O)(OC(C)C)=O
UNII	POD4AH8070
Synonyms	Diisopropyl fumarate, 7283-70-7, FUMARIC ACID, DIISOPROPYL ESTER, UNII-POD4AH8070, Diisopropylester kyseliny fumarove, POD4AH8070, FNMTVMWFISHPEV-AATRIKPKSA-N, 2-Butenedioic acid (E)-, bis(1-methylethyl) ester, EINECS 230-707-1, NSC 70161, BRN 1726370, Diisopropylester kyseliny fumarove [Czech], AI3-15489, dipropan-2-yl but-2-enedioate, Fumaric acid diisopropyl, 2-Butenedioic acid (2Z)-, bis(1-methylethyl) ester, 2-Butenedioic acid, bis(1-methylethyl) ester, (E)-, AC1NSA60, AC1Q5XU1, SCHEMBL177748, SCHEMBL178194, Fumaric Acid Diisopropyl Ester, CHEMBL4069580, DTXSID7064942, 10099-70-4, NSC70161, ZINC4802600, 2-Butenedioic acid diisopropyl ester, Diisopropyl (2E)-2-butenedioate #, WLN: 1Y1&OV1U1VOY1&1, dipropan-2-yl (E)-but-2-enedioate, MFCD00545172, NSC-70161, STK331951, Diisopropyl 2-butenedioate AldrichCPR, AKOS015915585, dipropan-2-yl (2E)-but-2-enedioate, Diisopropyl 2-butenedioate, AldrichCPR, AJ-52334, AK129045, CC-26849, AX8000303, TC-124996, D3916, I14-53643, 2-Butenedioic acid (E)-, bis(1-methylethyl) ester (9CI), DIISOPROPYLFUMARATE, C10-H16-O4, CID5357078, 4-02-00-02209 (Beilstein Handbook Reference),

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	200.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.234g/mol
Monoisotopic Mass	200.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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