AG0036FG

843666-40-0 | 18-(tert-Butoxy)-18-oxooctadecanoic acid

AG0036FG

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CAS Number	843666-40-0
Catalog Number	AG0036FG(AGN-PC-059BAH)
Chemical Name	18-(tert-Butoxy)-18-oxooctadecanoic acid
IUPAC Name	18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid
InChI	InChI=1S/C22H42O4/c1-22(2,3)26-21(25)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(23)24/h4-19H2,1-3H3,(H,23,24)
InChI Key	WDUQJXKBWRNMKI-UHFFFAOYSA-N
MDL Number	MFCD09991735
Molecular Formula	C22H42O4
Molecular Weight	370.5665
SMILES	C(C)(C)(C)OC(CCCCCCCCCCCCCCCCC(=O)O)=O
Synonyms	843666-40-0, 18-(tert-butoxy)-18-oxooctadecanoic acid, Octadecanedioic acid mono-tert-butyl ester, 18-tert-butoxy-18-oxooctadecanoic acid, 18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid, AK173012, SCHEMBL419352, CTK5F2241, DTXSID70650738, WDUQJXKBWRNMKI-UHFFFAOYSA-N, BCP25718, KS-000019TX, ZX-AT017721, 0444AF, MFCD09991735, ZINC16698261, AKOS016028565, SS-4595, DA-02921, OR303231, AB0076820, AX8145995, CS-0038601, FT-0700620, X-1502, Octadecanedioic acid,1-(1,1-dimethylethyl) ester, 18-[(2-Methyl-2-propanyl)oxy]-18-oxooctadecanoic acid, C22H42O4, ACN-054509, 18-(Tert-Butoxy)-18-oxooctadecanoic acid, 97% - 1G 1g,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	370.308g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	370.574g/mol
Monoisotopic Mass	370.308g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words	unknown

Certificate of Analysis

Lot Number