AG0024DT

18305-60-7 | 2-Butenedioic acid (2Z)-, bis(1,1-dimethylethyl) ester

AG0024DT

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CAS Number	18305-60-7
Catalog Number	AG0024DT(AGN-PC-0QCC9D)
Chemical Name	2-Butenedioic acid (2Z)-, bis(1,1-dimethylethyl) ester
IUPAC Name	ditert-butyl (Z)-but-2-enedioate
InChI	InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7-
InChI Key	MSVGHYYKWDQHFV-FPLPWBNLSA-N
MDL Number	MFCD23381095
Molecular Formula	C12H20O4
Molecular Weight	228.2848
NSC Number	134487
SMILES	O=C(OC(C)(C)C)/C=CC(OC(C)(C)C)=O
Synonyms	Di-tert-butyl maleate, 18305-60-7, Maleic acid, di-t-butyl ester, ditert-butyl (Z)-but-2-enedioate, AK119579, NSC134487, AC1NSL01, SCHEMBL375029, di-(2-methyl-2-propyl) maleate, MSVGHYYKWDQHFV-FPLPWBNLSA-N, MFCD23381095, AKOS016010621, ZINC100016787, CS-W003918, DS-2824, MP-0768, NSC-134487, Di(tert-butyl) (2Z)-2-butenedioate #, 1,4-di-tert-butyl (2Z)-but-2-enedioate, AB0063559, AX8244995, ST2419218, Z4321, C12H20O4, CID5365124, 7633-38-7,

Complexity	259
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	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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