4-Oxopentanal
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4-Oxopentanal
structure -
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CAS No:
626-96-0
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Formula:
C5H8O2
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Chemical Name:
4-Oxopentanal
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Synonyms:
Pentanal,4-oxo-;Levulinaldehyde;4-Oxopentanal;Levulinic aldehyde;4-Ketovaleraldehyde;5-Oxo-2-pentanone;3-Acetyl-1-propanal
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CAS No:
Description
ChEBI: A ketoaldehyde that is pentanal substituted by an oxo group at position 4.
4-oxopentanal is a ketoaldehyde that is pentanal substituted by an oxo group at position 4. It has a role as a metabolite.
Characteristics
34.14000
0.55450
1.0184 g/cm3 @ Temp: 21.5 °C
66-68 °C @ Press: 10 Torr
57.7ºC
1.397
Computed Properties
Molecular Weight:100.12
XLogP3:-0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:34.1
Heavy Atom Count:7
Complexity:76.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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