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Diethyl 2-[(E)-2-Butenyl]malonate

CAT: 0572-TRC-D582505-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D582505-1GSize:1 g
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CAS Number
84200-37-3
Synonyms
1,3-Diethyl 2-(2E)-2-buten-1-ylpropanedioate (ACI); Propanedioic acid, (2E)-2-butenyl-, diethyl ester (9CI); Propanedioic acid, 2-butenyl-, diethyl ester, (E)- (ZCI); Diethyl 2-[(E)-2-butenyl]malonate
Hazard Statement
No Data Available
Smiles
O=C(OCC)C(C/C=C/C)C(OCC)=O
Molecular Formula
C11H18O4
Molecular Weight
214.26
InChI
InChI=1S/C11H18O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+
Additionnal Information
IUPAC name: diethyl (E)-2-(but-2-en-1-yl)malonate
Shipping Conditions
Room Temperature

Chemical Information

Diethyl 2-[(2E)-2-butenyl]malonate
CAS Number84200-37-3
PubChem CID5466541
IUPAC Namediethyl 2-[(E)-but-2-enyl]propanedioate
Molecular FormulaC11H18O4
Molecular Weight214.26
XLogP2.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity215
SMILES
CCOC(=O)C(C/C=C/C)C(=O)OCC
InChI
InChI=1S/C11H18O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKey
FAGUWAFYGLVLTA-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 2-[(2E)-2-butenyl]malonate
CAS: 84200-37-3
CID: 5466541
Formula: C11H18O4
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass214.12050905
Monoisotopic Mass214.12050905
Topological Polar Surface Area52.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
447973-01(E) -Diethyl (2-Butenyl) phosphonate
RG-A262359-01Diethyl (E) -2- ((2-Cyanovinyl) Amino) Malonate
OR30384Diethyl 2- (dimethylamino) malonate
OR73263-01Diethyl 2- (aminomethylene) malonate
OR300758-01Diethyl 2- (phenylamino) malonate
OR28758-01Diethyl 2- (2-cyanoethyl) malonate
OR6546-01Diethyl 2- (2-phenylethyl) malonate
FD142966-01Diethyl 2- (chloromethylene) malonate
sc-268885Diethyl (2-pentyl) malonate
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