AG000ZX0

13192-05-7 | Butanedioic acid, 2-oxo-, 4-methyl ester

AG000ZX0

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CAS Number	13192-05-7
Catalog Number	AG000ZX0(AGN-PC-0506FR)
Chemical Name	Butanedioic acid, 2-oxo-, 4-methyl ester
IUPAC Name	4-methoxy-2,4-dioxobutanoic acid
InChI	InChI=1S/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)
InChI Key	MAIRDOOJJIGWBJ-UHFFFAOYSA-N
MDL Number	MFCD19229811
Molecular Formula	C5H6O5
Molecular Weight	146.0981
SMILES	O=C(O)C(CC(OC)=O)=O
Synonyms	OXAC 4-MEES, oxalacetic acid 4-methyl ester, 4-methoxy-2,4-dioxobutanoic acid, 13192-05-7, Oxaloacetate 4-methyl ester, oxaloacetic acid 4-methyl ester, AK159593, Oxac 4-mees, Oxalacetic acid 4-methyl ester, 2-Oxo-succinic acid 4-methyl ester, AC1L2UJN, AC1Q5RH4, SCHEMBL11487172, CHEBI:16859, ZINC1529730, FCH966387, MFCD19229811, AKOS006379869, DS-9672, Butanedioic acid, oxo-, 4-methyl ester, AJ-26628, AM806672, AX8292883, ST24043834, C03716, Methyloxaloacetate, AR-1G3050, CID128843, ACN-041540, 13287-89-3,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.098g/mol
Monoisotopic Mass	146.022g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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