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2-benzyl-3-oxobutanal

2-benzyl-3-oxobutanal structure

CAS No:
14438-08-5
Formula:
C11H12O2
Chemical Name:
2-benzyl-3-oxobutanal
Synonyms:
2-benzyl-acetoacetaldehyde;SCHEMBL20016694

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2-benzyl-3-oxobutanal Basic Attributes

Molecular Weight：

176.21178

Exact Mass：

176.084

Characteristics

PSA：

34.1

XLogP3：

1.6

Computed Properties

Molecular Weight:176.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:13
Complexity:181
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-benzyl-3-oxobutanal

Basic Attributes
Characteristics
Computed Properties

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