β-Ionylideneacetaldehyde
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β-Ionylideneacetaldehyde
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CAS No:
1209-68-3
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Formula:
C15H22O
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Chemical Name:
β-Ionylideneacetaldehyde
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Synonyms:
2,4-Pentadienal,3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal;β-Ionylideneacetaldehyde;NSC 23977
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CAS No:
Characteristics
17.07000
4.21440
0.948g/cm3
192 °C @ Solvent: Methanol
92-93 °C @ Press: 1.8 Torr
156.2ºC
1.529
Computed Properties
Molecular Weight:218.33
XLogP3:4.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:218.167065321
Monoisotopic Mass:218.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:354
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes