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1-Hydroperoxy-4-methyl-2-pentanone

1-Hydroperoxy-4-methyl-2-pentanone structure

CAS No:
59472-06-9
Formula:
C6H12O3
Chemical Name:
1-Hydroperoxy-4-methyl-2-pentanone
Synonyms:
2-Pentanone,1-hydroperoxy-4-methyl-;1-Hydroperoxy-4-methyl-2-pentanone;4-Methyl-2-pentanone peroxide

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1-Hydroperoxy-4-methyl-2-pentanone Basic Attributes

Molecular Weight：

132.15800

Exact Mass：

132.16

EC Number：

261-778-7

UNII：

X8TP9CN0XS

DSSTox ID：

DTXSID10208176

Characteristics

PSA：

46.53000

XLogP3：

1.09120

Density：

1.024g/cm3

Boiling Point：

221.1ºC

Flash Point：

87.9ºC

Refractive Index：

1.427

Computed Properties

Molecular Weight:132.16
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:132.078644241
Monoisotopic Mass:132.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:9
Complexity:88.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Hydroperoxy-4-methyl-2-pentanone

Basic Attributes
Characteristics
Computed Properties

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