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137202-09-6

137202-09-6 | 12-Pentacosene

CAS No: 137202-09-6 Catalog No: AG0012XP MDL No:

Product Description

Catalog Number:
AG0012XP
Chemical Name:
12-Pentacosene
CAS Number:
137202-09-6
Molecular Formula:
C25H50
Molecular Weight:
350.6645
IUPAC Name:
pentacos-12-ene
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
InChI Key:
BVGNABNQQZPWPX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC=CCCCCCCCCCCC

Properties

Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.391g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.675g/mol
Monoisotopic Mass:
350.391g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
12.8  

Literature

Title Journal
(Z)-Pentacos-12-ene, an oviposition-deterring pheromone of Cheilomenes sexmaculata. Journal of chemical ecology 20071101

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