Ethyl Methyl Fumarate

CAT: 1299-RG-A261483-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261483-01Size:10 mg

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CAS Number

4749-70-6

Synonyms

Ethyl methyl fumarate

Molecular Formula

C7H10O4

Molecular Weight

158.15

Target Alternative Name

Fumarate

Product Name Synonym

Ethyl methyl fumarate

Chemical Information

Ethyl methyl fumarate

CAS Number	4749-70-6
PubChem CID	10154175
IUPAC Name	4-O-ethyl 1-O-methyl (E)-but-2-enedioate
Molecular Formula	C7H10O4
Molecular Weight	158.15
XLogP	1.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	171

SMILES

CCOC(=O)/C=C/C(=O)OC

InChI

InChI=1S/C7H10O4/c1-3-11-7(9)5-4-6(8)10-2/h4-5H,3H2,1-2H3/b5-4+

InChIKey

JDOZUYVDIAKODH-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 4749-70-6

CID: 10154175

Formula: C7H10O4

MW: 158.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.15
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	158.05790880
Monoisotopic Mass	158.05790880
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-Q201628-01	Quetiapine Ethyl Ether (Fumarate)
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RG-E140709-01	Ethyl Methyl Oxalate
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RG-A260311-01	Ethyl Methyl Malonate
RG-A261285-01	Ethyl (Methyl) Carbamic Chloride
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RM-R459100-01	Rupatadine Fumarate
RM-C123100-01	Clemastine Fumarate
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Catalog	Name
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