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2-(2-oxobutyl)isoindoline-1,3-dione

2-(2-oxobutyl)isoindoline-1,3-dione structure

CAS No:
80369-11-5
Formula:
C12H11NO3
Chemical Name:
2-(2-oxobutyl)isoindoline-1,3-dione
Synonyms:
2-(2-oxobutyl)isoindoline-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-(2-oxobutyl)-

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2-(2-oxobutyl)isoindoline-1,3-dione Basic Attributes

Molecular Weight：

217.22

Exact Mass：

217.07389321

DSSTox ID：

DTXSID30466155

Characteristics

PSA：

54.45000

XLogP3：

1.19960

Density：

1.275±0.06 g/cm3

Melting Point：

107-108 °C

Boiling Point：

353.0±25.0 °C(Predicted)

PKA：

-2.50±0.20

Computed Properties

Molecular Weight:217.22
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:217.07389321
Monoisotopic Mass:217.07389321
Topological Polar Surface Area:54.4
Heavy Atom Count:16
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-oxobutyl)isoindoline-1,3-dione

Basic Attributes
Characteristics
Computed Properties

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