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151554-95-9 | 2,7-Octadienal, (2E)-
CAS No: 151554-95-9 Catalog No: AG001NEP MDL No:
Product Description
Catalog Number:
AG001NEP
Chemical Name:
2,7-Octadienal, (2E)-
CAS Number:
151554-95-9
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
octa-2,7-dienal
InChI:
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2,6-8H,1,3-5H2
InChI Key:
KNECBQPKWOLHOS-UHFFFAOYSA-N
SMILES:
C=CCCC/C=C/C=O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Semiochemical investigations of the insidious flower bug, Orius insidiosus (Say). | Journal of chemical ecology 20070801 |
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