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(Z) -12-pentacosene

CAT: 1266-JH347771Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH347771Size:1 Each
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CAS Number
56927-05-0
UN Code
UN 1759
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C25 H50
Molecular Weight
350.66
Product Name Synonym
Z-12-pentacosene
Physical Properties
Colorless clear liquid
Hazardous Class
8
Safety Statements
S26; S36
Density
1.164g/cm3
Flash Point
353oC
RIDADR
UN 1759
Melting Point
279oC

Chemical Information

(Z)-pentacos-12-ene

an oviposition-deterring pheromone of Cheilomenes sexmaculata

CAS Number56927-05-0
PubChem CID5363340
IUPAC Name(Z)-pentacos-12-ene
Molecular FormulaC25H50
Molecular Weight350.7
XLogP12.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count21
Heavy Atom Count25
Formal Charge0
Complexity240
SMILES
CCCCCCCCCCCC/C=C\CCCCCCCCCCC
InChI
InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h23,25H,3-22,24H2,1-2H3/b25-23-
InChIKey
BVGNABNQQZPWPX-BZZOAKBMSA-N
Chemical Structure
2D Structure
2D structure of (Z)-pentacos-12-ene
CAS: 56927-05-0
CID: 5363340
Formula: C25H50
MW: 350.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.7
XLogP312.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count21
Exact Mass350.391251595
Monoisotopic Mass350.391251595
Topological Polar Surface Area0 Ų
Heavy Atom Count25
Formal Charge0
Complexity240
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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