AG003D7G

42236-50-0 | 1,12-Diacetoxydodecane

AG003D7G

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CAS Number	42236-50-0
Catalog Number	AG003D7G(AGN-PC-0WG3K0)
Chemical Name	1,12-Diacetoxydodecane
IUPAC Name	12-acetyloxydodecyl acetate
InChI	InChI=1S/C16H30O4/c1-15(17)19-13-11-9-7-5-3-4-6-8-10-12-14-20-16(2)18/h3-14H2,1-2H3
InChI Key	VSQSFRDZIRKBEF-UHFFFAOYSA-N
MDL Number	MFCD06252255
Molecular Formula	C16H30O4
Molecular Weight	286.4070
SMILES	O=C(OCCCCCCCCCCCCOC(C)=O)C
Synonyms	1,12-Diacetoxydodecane, 42236-50-0, 12-acetyloxydodecyl acetate, ACMC-209jog, Dodecamethylene Diacetate, 1,12-Dodecanediol Diacetate, Dodecane-1,12-diyl diacetate, SCHEMBL3454625, CTK4I5906, DTXSID20609817, ANW-29774, MFCD06252255, SBB060821, ZINC15146151, AKOS024390894, MCULE-8723703891, ACM42236500, TC-118519, D3304, ST51046928,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.214g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	286.412g/mol
Monoisotopic Mass	286.214g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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