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83861-74-9 | 1,5-Octadien-3-ol
CAS No: 83861-74-9 Catalog No: AG004VVX MDL No:
Product Description
Catalog Number:
AG004VVX
Chemical Name:
1,5-Octadien-3-ol
CAS Number:
83861-74-9
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
octa-1,5-dien-3-ol
InChI:
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3
InChI Key:
APFBWMGEGSELQP-UHFFFAOYSA-N
SMILES:
CCC=CCC(C=C)O
FEMA Number:
4732
Properties
Complexity:
94.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Genomic analysis of the hydrocarbon-producing, cellulolytic, endophytic fungus Ascocoryne sarcoides. | PLoS genetics 20120301 |
| Post-mortem volatiles of vertebrate tissue. | Applied microbiology and biotechnology 20110801 |
| Plant-plant signaling: ethylene synergizes volatile emission in Zea mays induced by exposure to (Z)-3-hexen-1-ol. | Journal of chemical ecology 20050901 |
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