AG004A27

886362-90-9 | 3-(2-(3-Ethoxy-3-oxopropoxy)ethoxy)propanoic acid

AG004A27

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CAS Number	886362-90-9
Catalog Number	AG004A27(AGN-PC-0VMVAH)
Chemical Name	3-(2-(3-Ethoxy-3-oxopropoxy)ethoxy)propanoic acid
IUPAC Name	3-[2-(3-ethoxy-3-oxopropoxy)ethoxy]propanoic acid
InChI	InChI=1S/C10H18O6/c1-2-16-10(13)4-6-15-8-7-14-5-3-9(11)12/h2-8H2,1H3,(H,11,12)
InChI Key	KEGUKRRJONEXNN-UHFFFAOYSA-N
MDL Number	MFCD04115349
Molecular Formula	C10H18O6
Molecular Weight	234.2463
SMILES	O=C(O)CCOCCOCCC(OCC)=O
Synonyms	886362-90-9, 3-(2-(3-ethoxy-3-oxopropoxy)ethoxy)propanoic acid, 3-[2-(2-Ethoxycarbonyl-ethoxy)-ethoxy]-propionic acid, 3-[2-(3-ethoxy-3-oxopropoxy)ethoxy]propanoic acid, 3-[2-(3-Ethoxy-3-oxopropoxy)ethoxy]propionic Acid, 3-[2-(2-Ethoxycarbonyl-ethoxy)-ethoxy]-propionicacid, SCHEMBL15758495, CTK5G0962, DTXSID30654196, KEGUKRRJONEXNN-UHFFFAOYSA-N, ACT10518, ZINC2527498, ANW-46431, MFCD04115349, AKOS015998674, AJ-38063, AK-86189, DA-18348, DS-18138, SC-89315, SY041463, AX8037415, ST2404695, TC-135176, FT-0730892, W9126, MFCD04115349 (95%), X-2007, 3-[2-(2-ETHOXYCARBONYL-ETHOXY)-ETHOXY]-PROPIONIC A, Propanoic acid,3-[2-(2-carboxyethoxy)ethoxy]-, 1-ethyl ester, propanoic acid, 3-[2-(2-carboxyethoxy)ethoxy]-, 1-ethyl ester, ref dupl: 3-[2-(2-ethoxycarbonyl-ethoxy)-ethoxy]-propionic acid, C10H18O6, 3-[2- -ETHOXY]-PROPIONICACID, A12931, 3-(2-(3-Ethoxy-3-oxopropoxy)ethoxy)propanoicacid,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.248g/mol
Monoisotopic Mass	234.11g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	82.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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