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126745-61-7 | 6-Dodecenal, (6Z)-
CAS No: 126745-61-7 Catalog No: AG000T6I MDL No:
Product Description
Catalog Number:
AG000T6I
Chemical Name:
6-Dodecenal, (6Z)-
CAS Number:
126745-61-7
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
dodec-6-enal
InChI:
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,12H,2-5,8-11H2,1H3
InChI Key:
RKSXBPZEKYUCII-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CCCCC=O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Interspecific differences in Aethia spp. auklet odorants and evidence for chemical defense against ectoparasites. | Journal of chemical ecology 20041001 |
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