Dimethyl Fumarate Impurity 30

CAT: 1299-RM-D130530-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D130530-01Size:10 mg

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CAS Number

56958-97-5

Synonyms

2,3-Oxiranedicarboxylic acid, 2,3-dimethyl ester, (2R,3S) -rel_x0002_

Molecular Formula

C6H8O5

Molecular Weight

160.13

Target Alternative Name

Dimethyl Fumarate

Product Name Synonym

2,3-Oxiranedicarboxylic acid,2,3-dimethyl ester, (2R,3S) -rel

Chemical Information

Dimethyl oxirane-2,3-dicarboxylate

CAS Number	56958-97-5
PubChem CID	299566
IUPAC Name	dimethyl oxirane-2,3-dicarboxylate
Molecular Formula	C6H8O5
Molecular Weight	160.12
XLogP	-0.2
Topological Polar Surface Area	65.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	167

SMILES

COC(=O)C1C(O1)C(=O)OC

InChI

InChI=1S/C6H8O5/c1-9-5(7)3-4(11-3)6(8)10-2/h3-4H,1-2H3

InChIKey

KAGHUYFLGPUYKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56958-97-5

CID: 299566

Formula: C6H8O5

MW: 160.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.12
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	160.03717335
Monoisotopic Mass	160.03717335
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes