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1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE

1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE structure

CAS No:
56221-42-2
Formula:
C11H10O4
Chemical Name:
1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE
Synonyms:
1-(1,3-benzodioxol-5-yl)butane-1,3-dione;1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE;1-Benzo(1,3)dioxol-5-yl-butane-1,3-dione;SCHEMBL9701628;CTK5A4803;DTXSID20478924;ZINC26513704;AKOS009234205;1,3-Butanedione,1-(1,3-benzodioxol-5-yl)-;1-(1,3-Benzodioxole-5-yl)-1,3-butanedione

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1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE Basic Attributes

Molecular Weight：

206.19

Exact Mass：

206.05800

DSSTox ID：

DTXSID20478924

Characteristics

PSA：

52.60000

XLogP3：

1.57710

Density：

1.27g/cm3

Boiling Point：

363ºC at 760mmHg

Flash Point：

163.6ºC

Refractive Index：

1.55

Computed Properties

Molecular Weight:206.19
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:206.05790880
Monoisotopic Mass:206.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:15
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE

Basic Attributes
Characteristics
Computed Properties

1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE

SDS

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