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Ethyl (2E) -hex-2-enoate

CAT: 0931-T203903Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T203903Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27829-72-7
Target
Others
Related Pathways
Others
Purity
0.9952
Bioactivity
Ethyl (2E) -hex-2-enoate (Ethyl trans-2-hexenoate) is an ester containing a double bond and is commonly used in flavor preparation, organic synthesis and biochemical experiments.
Smiles
C(\C(OCC)=O)=C/CCC
Molecular Formula
C8H14O2
Molecular Weight
142.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl trans-2-hexenoate

Ethyl 2-hexenoate is a fatty acid ethyl ester of 2-hexenoic acid. It has a role as a metabolite. It is functionally related to a 2-hexenoic acid.

CAS Number27829-72-7
PubChem CID5364778
IUPAC Nameethyl (E)-hex-2-enoate
Molecular FormulaC8H14O2
Molecular Weight142.20
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
CCC/C=C/C(=O)OCC
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey
SJRXWMQZUAOMRJ-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of Ethyl trans-2-hexenoate
CAS: 27829-72-7
CID: 5364778
Formula: C8H14O2
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
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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