AG003PYG

617-37-8 | 2-Ethoxy-2-oxoacetic acid

AG003PYG

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CAS Number	617-37-8
Catalog Number	AG003PYG(AGN-PC-03I2TP)
Chemical Name	2-Ethoxy-2-oxoacetic acid
IUPAC Name	2-ethoxy-2-oxoacetic acid
InChI	InChI=1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6)
InChI Key	JRMAQQQTXDJDNC-UHFFFAOYSA-N
MDL Number	MFCD00785870
Molecular Formula	C4H6O4
Molecular Weight	118.0880
SMILES	O=C(O)C(OCC)=O
Synonyms	2-ethoxy-2-oxoacetic acid, 617-37-8, oxalic acid 1-ethyl ester, Oxalic acid monoethyl ester, Ethyl hydrogen oxalate, JRMAQQQTXDJDNC-UHFFFAOYSA-N, Monoethyl oxalate, AK126044, Ethoxy(oxo)acetic acid, Oxalsaureathylester, AC1L2MGY, AC1Q5RMR, oxalic acid monoethylester, Ethoxy(oxo)acetic acid #, ACMC-1B1OW, SCHEMBL98770, ethanedioic acid monoethyl ester, KS-00000PIU, DTXSID00275731, ZINC1693437, 9261AB, FCH963779, MFCD00785870, AKOS006223021, AJ-30203, SC-26569, AX8223254, ST2409957, TX-018143, : Oxalic acid 1-ethyl ester, C4H6O4, CID74701, AR-1I7819, Oxalic acid, monoethyl ester, potassium salt, 6295-86-9,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.027g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	118.088g/mol
Monoisotopic Mass	118.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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