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2-Tridecanone

CAT: 0931-T9502-04Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-T9502-04Size:10 g
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CAS Number
593-08-8
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
2-Tridecanone is a volatile non-alkaloid insecticide isolated from the wild tomato Lycopersicon hirsutum f. glabratum.
Smiles
CCCCCCCCCCCC(C)=O
Molecular Formula
C13H26O
Molecular Weight
198.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Tridecanone

Tridecan-2-one is a methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a flavouring agent and a plant metabolite. It derives from a hydride of a tridecane.

CAS Number593-08-8
PubChem CID11622
IUPAC Nametridecan-2-one
Molecular FormulaC13H26O
Molecular Weight198.34
XLogP5.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity129
SMILES
CCCCCCCCCCCC(=O)C
InChI
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChIKey
CYIFVRUOHKNECG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Tridecanone
CAS: 593-08-8
CID: 11622
Formula: C13H26O
MW: 198.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight198.34
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass198.198365449
Monoisotopic Mass198.198365449
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity129
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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