AG002N4D

234081-94-8 | Octanedioic acid, 1-(1,1-dimethylethyl) ester

AG002N4D

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CAS Number	234081-94-8
Catalog Number	AG002N4D(AGN-PC-0O83P3)
Chemical Name	Octanedioic acid, 1-(1,1-dimethylethyl) ester
IUPAC Name	8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
InChI	InChI=1S/C12H22O4/c1-12(2,3)16-11(15)9-7-5-4-6-8-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChI Key	BONUHUQZCZQQEN-UHFFFAOYSA-N
MDL Number	MFCD28505597
Molecular Formula	C12H22O4
Molecular Weight	230.3007
SMILES	O=C(O)CCCCCCC(OC(C)(C)C)=O
Synonyms	8-(tert-Butoxy)-8-oxooctanoic acid, 234081-94-8, SCHEMBL3988897, KS-00000TBE, BONUHUQZCZQQEN-UHFFFAOYSA-N, suberic acid mono-tert-butyl ester, MFCD28505597, AKOS026672069, octanedioic acid mono-tert-butyl ester, ZINC138990580, AK193982, DS-10408, 8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid, A1-06573, Octanedioicacid,mono(1,1-dimethylethyl)ester,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.304g/mol
Monoisotopic Mass	230.152g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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