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Ethyl (E) -3-Ethoxybut-2-Enoate

CAT: 1299-RG-A263163-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A263163-01Size:10 mg
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CAS Number
57592-45-7
Synonyms
Ethyl (E) -3-ethoxybut-2-enoate
Molecular Formula
C8H14O3
Molecular Weight
158.2
Target Alternative Name
Butenoate
Product Name Synonym
Ethyl (E) -3-ethoxybut-2-enoate

Chemical Information

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

See also: 2-Butenoic acid, 3-ethoxy-, ethyl ester (annotation moved to).

CAS Number57592-45-7
PubChem CID5354173
IUPAC Nameethyl (E)-3-ethoxybut-2-enoate
Molecular FormulaC8H14O3
Molecular Weight158.19
XLogP1.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity149
SMILES
CCO/C(=C/C(=O)OCC)/C
InChI
InChI=1S/C8H14O3/c1-4-10-7(3)6-8(9)11-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey
ZOCYCSPSSNMXBU-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (2E)-3-ethoxy-2-butenoate
CAS: 57592-45-7
CID: 5354173
Formula: C8H14O3
MW: 158.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.19
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass158.094294304
Monoisotopic Mass158.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
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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