Dimethyl oxalate

CAT: 0024-sc-239779ASize: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239779ASize:100 g

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CAS Number

553-90-2

Chemical Information

Ethanedioic acid, dimethyl ester

Methyl oxalate is a member of dicarboxylic acids and O-substituted derivatives, a methyl ester and a diester. It is functionally related to an oxalic acid.

CAS Number	553-90-2
PubChem CID	11120
IUPAC Name	dimethyl oxalate
Molecular Formula	C4H6O4
Molecular Weight	118.09
XLogP	-0.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	92

SMILES

COC(=O)C(=O)OC

InChI

InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3

InChIKey

LOMVENUNSWAXEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 553-90-2

CID: 11120

Formula: C4H6O4

MW: 118.09

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	118.09
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	118.02660867
Monoisotopic Mass	118.02660867
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	92.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-D476345-1G	Dimethyl Oxalate
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OR1004972-01	N, N-Dimethyl-p-phenylenediamine oxalate
TRC-C211376-10MG	Chlorpromazine-d6 Oxalate (N,N-dimethyl-d6)
90018424	N, N-Dimethyl-1,4-phenylenediamine oxalate
TRC-G377555-50MG	Gibberellic Acid Methyl Ester Acetate Dimethyl Oxalate
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OR30662-01	N, N-Dimethyl-2- (piperazin-1-yl) benzamide oxalate
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Dimethyl oxalate

Chemical Information

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