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Ethyl 6-heptenoate

CAT: 1410-M37386-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Ethyl 6-heptenoate (6-Heptenoic acid ethyl ester) has some neurotoxicity.
CAS Number
25118-23-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
156.22
Molecular Formula
C9H16O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Ethyl 6-heptenoate
CAS Number25118-23-4
PubChem CID560341
IUPAC Nameethyl hept-6-enoate
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP2.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CCOC(=O)CCCCC=C
InChI
InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3H,1,4-8H2,2H3
InChIKey
FTJATNSAFIFEDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 6-heptenoate
CAS: 25118-23-4
CID: 560341
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T84003-01Ethyl 6-heptenoate
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