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4-Tridecen-1-yl acetate, (4E) -

CAT: 0931-T29444-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29444-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72269-48-8
Target
Others
Related Pathways
Others
Bioactivity
4-Tridecen-1-yl acetate, (4E) - is a bioactive chemical.
Smiles
C(\CCCCCCCC)=C/CCCOC(C)=O
Molecular Formula
C15H28O2
Molecular Weight
240.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Tridecen-1-yl acetate, (4E)-
CAS Number72269-48-8
PubChem CID5365748
IUPAC Name[(E)-tridec-4-enyl] acetate
Molecular FormulaC15H28O2
Molecular Weight240.38
XLogP5.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count17
Formal Charge0
Complexity197
SMILES
CCCCCCCC/C=C/CCCOC(=O)C
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h10-11H,3-9,12-14H2,1-2H3/b11-10+
InChIKey
DUCVQKMNGSZPAV-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of 4-Tridecen-1-yl acetate, (4E)-
CAS: 72269-48-8
CID: 5365748
Formula: C15H28O2
MW: 240.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.38
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass240.208930132
Monoisotopic Mass240.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity197
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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