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Ethyl non-8-enoate

CAT: 0127-OR01813Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
35194-39-9
MDL Number
MFCD00671847
Smiles
CCOC (=O) CCCCCCC=C

Chemical Information

Ethyl 8-nonenoate
CAS Number35194-39-9
PubChem CID37085
IUPAC Nameethyl non-8-enoate
Molecular FormulaC11H20O2
Molecular Weight184.27
XLogP3.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity141
SMILES
CCOC(=O)CCCCCCC=C
InChI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3H,1,4-10H2,2H3
InChIKey
SOSSRQZGHXOQQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 8-nonenoate
CAS: 35194-39-9
CID: 37085
Formula: C11H20O2
MW: 184.27
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight184.27
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass184.146329876
Monoisotopic Mass184.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
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