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3-oxopentanal

3-oxopentanal structure

CAS No:
623-38-1
Formula:
C5H8O2
Chemical Name:
3-oxopentanal
Synonyms:
3-oxo-valeraldehyde; 3-Oxo-valeraldehyd; Penten-(1)-ol-(1)-on-(3); 3-oxo-pentanal; Pentanal,3-oxo; Pentanon-(3)-al-(1);Expand

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3-oxopentanal Basic Attributes

Molecular Weight：

100.11600

Exact Mass：

100.052429494 g/mol

DSSTox ID：

DTXSID20211358

Characteristics

PSA：

34.14000

XLogP3：

0.55450

Density：

0.948g/cm3

Boiling Point：

145.4ºC

Flash Point：

46.4ºC

Refractive Index：

1.397

Computed Properties

Molecular Weight:100.12
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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Guide of 3-oxopentanal

Basic Attributes
Characteristics
Computed Properties

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