AG003S5J

66003-63-2 | Dodecanedioic acid monoethyl ester

AG003S5J

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CAS Number	66003-63-2
Catalog Number	AG003S5J(AGN-PC-02VDPM)
Chemical Name	Dodecanedioic acid monoethyl ester
IUPAC Name	12-ethoxy-12-oxododecanoic acid
InChI	InChI=1S/C14H26O4/c1-2-18-14(17)12-10-8-6-4-3-5-7-9-11-13(15)16/h2-12H2,1H3,(H,15,16)
InChI Key	VJOPNKODAZUCRH-UHFFFAOYSA-N
MDL Number	MFCD00191643
Molecular Formula	C15H28O4
Molecular Weight	272.3804
SMILES	CC(C(OCC)=O)CCCCCCCCCC(O)=O
Synonyms	Dodecanedioic Acid Monoethyl Ester, 12-Ethoxy-12-oxododecanoic acid, Ethyl hydrogen dodecanedioate, Monoethyl Dodecanedioate, 66003-63-2, VJOPNKODAZUCRH-UHFFFAOYSA-N, 11-ETHOXYCARBONYLDODECANOIC ACID, AC1LBMCB, AC1Q5W8G, SCHEMBL3505293, Dodecanedioic Acid 1-Ethyl Ester, Monoethyl 1,10-Decanedicarboxylate, 12-Ethoxy-12-oxododecanoic acid #, MFCD00191643, ZINC15146141, D2374, FT-0625570, AR-1C0628, CID560435, DODECANEDIOICACIDMONOETHYLESTER, 12-ethoxy-11-methyl-12-oxododecanoic acid, 6629-24-9,

Complexity	226
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	13
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number