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2349-14-6 | 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester
CAS No: 2349-14-6 Catalog No: AG002NEC MDL No:
Product Description
Catalog Number:
AG002NEC
Chemical Name:
2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester
CAS Number:
2349-14-6
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
methyl 3,7-dimethylocta-2,6-dienoate
InChI:
InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3
InChI Key:
ACOBBFVLNKYODD-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(CCC=C(C)C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Social environment determines degree of chemical signalling. | Biology letters 20111223 |
| Occurrence of odorant polyfunctional thiols in the Super Alpha Tomahawk hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety. | Journal of agricultural and food chemistry 20110824 |
| Field trials of aggregation pheromones for the stink bugs Chlorochroa uhleri and Chlorochroa sayi (Hemiptera: Pentatomidae). | Journal of economic entomology 20101001 |
| 25 years of natural product R&D with New South Wales agriculture. | Molecules (Basel, Switzerland) 20051031 |
| Identification and synthesis of a male-produced sex pheromone from the stink bug Chlorochroa sayi. | Journal of chemical ecology 20010601 |
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