AG002N4C

234081-96-0 | Decanedioic acid, 1-(1,1-dimethylethyl) ester

AG002N4C

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CAS Number	234081-96-0
Catalog Number	AG002N4C(AGN-PC-0O83PB)
Chemical Name	Decanedioic acid, 1-(1,1-dimethylethyl) ester
IUPAC Name	10-[(2-methylpropan-2-yl)oxy]-10-oxodecanoic acid
InChI	InChI=1S/C14H26O4/c1-14(2,3)18-13(17)11-9-7-5-4-6-8-10-12(15)16/h4-11H2,1-3H3,(H,15,16)
InChI Key	FRIYHISQFBWFCN-UHFFFAOYSA-N
MDL Number	MFCD28505598
Molecular Formula	C14H26O4
Molecular Weight	258.3538
SMILES	C(C)(C)(C)OC(CCCCCCCCC(=O)O)=O
Synonyms	10-(tert-Butoxy)-10-oxodecanoic acid, 234081-96-0, MFCD28505598, 10-(t-Butoxy)-10-oxodecanoic acid, AKOS026672070, ZINC199560572, AK193983, DS-10409, 10-[(2-methylpropan-2-yl)oxy]-10-oxodecanoic acid, 10-tert-butoxy-10-oxodecanoic acid,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.183g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.358g/mol
Monoisotopic Mass	258.183g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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