AG008IEI

843666-27-3 | Hexadecanedioic acid, mono(1,1-dimethylethyl) ester

AG008IEI

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CAS Number	843666-27-3
Catalog Number	AG008IEI(AGN-PC-0JE2GS)
Chemical Name	Hexadecanedioic acid, mono(1,1-dimethylethyl) ester
IUPAC Name	16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoic acid
InChI	InChI=1S/C20H38O4/c1-20(2,3)24-19(23)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18(21)22/h4-17H2,1-3H3,(H,21,22)
InChI Key	HXJICNOLPKEOLU-UHFFFAOYSA-N
MDL Number	MFCD23136039
Molecular Formula	C20H37O4
Molecular Weight	341.5054
SMILES	[O-]C(=O)CCCCCCCCCCCCCCC(=O)OC(C)(C)C
Synonyms	16-(tert-butoxy)-16-oxohexadecanoic acid, 843666-27-3, Hexadecanedioic acid mono-tert-butyl ester, SCHEMBL417894, HXJICNOLPKEOLU-UHFFFAOYSA-N, KS-00002B9U, tert-Butyl Hydrogen Hexadecanedioate, ZX-RL002531, MFCD23136039, ZINC90469710, 16-(tert-Butoxy)-16-oxopalmitic acid, tert-Butyl 15-carboxypentadecanoate, AKOS025393542, hexadecandioic acid mono t-butyl ester, SS-4582, AK179231, OR303207, 16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoic acid, Benzo-15-crown-5, B4911, 14098-44-3,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	342.277g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	342.52g/mol
Monoisotopic Mass	342.277g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number