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Ethyl trans-3-Ethoxyacrylate

CAT: 0572-TRC-E890910-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-E890910-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5941-55-9
Synonyms
(E)-Ethyl 3-Ethoxyacrylate; Ethyl (E)-3-ethoxy-2-propenoate; Ethyl (E)-3-ethoxyprop-2-enoate
Hazard Statement
Combustible liquid and vapour; UN number: UN3334; Packing Group: III
Smiles
CCO\C=C\C(=O)OCC
Molecular Formula
C7H12O3
Molecular Weight
144.17
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl (2E)-3-ethoxy-2-propenoate

See also: Ethyl 3-ethoxy-2-propenoate (annotation moved to).

CAS Number5941-55-9
PubChem CID5366269
IUPAC Nameethyl (E)-3-ethoxyprop-2-enoate
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP1.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CCO/C=C/C(=O)OCC
InChI
InChI=1S/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey
ITQFPVUDTFABDH-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (2E)-3-ethoxy-2-propenoate
CAS: 5941-55-9
CID: 5366269
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
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

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sc-279050Ethyl 2-Acetyl-3-ethoxyacrylate
OR24283Ethyl 2-butyryl-3-ethoxyacrylate
449043-01Ethyl 3-Amino-3-ethoxyacrylate Hydrochloride
OR1075152-01(Z) -Ethyl 2-cyano-3-ethoxyacrylate
OR1008358-01(E) -Ethyl 2-Cyano-3-Ethoxyacrylate
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