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4-Oxopentanal

4-Oxopentanal structure

CAS No:
626-96-0
Formula:
C5H8O2
Chemical Name:
4-Oxopentanal
Synonyms:
Pentanal,4-oxo-;Levulinaldehyde;4-Oxopentanal;Levulinic aldehyde;4-Ketovaleraldehyde;5-Oxo-2-pentanone;3-Acetyl-1-propanal
Categories:
Chemical Reagents > Organic Reagents

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.

4-Oxopentanal Basic Attributes

Molecular Weight：

100.11600

Exact Mass：

100.12

UNII：

BL58BK264G

DSSTox ID：

DTXSID60211655

Characteristics

PSA：

34.14000

XLogP3：

0.55450

Density：

1.0184 g/cm³ @ Temp: 21.5 °C

Boiling Point：

66-68 °C @ Press: 10 Torr

Flash Point：

57.7ºC

Refractive Index：

1.397

Drug Information

MeSH Entry Terms：

4-oxopentanal

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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626-96-0 4-oxopentanal

CAS No.: 626-96-0

Grade: Industrial Grade

Content: 95%

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