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1-(1,3-Benzodioxol-5-yl)-2-butanone

1-(1,3-Benzodioxol-5-yl)-2-butanone structure

CAS No:
23023-13-4
Formula:
C11H12O3
Chemical Name:
1-(1,3-Benzodioxol-5-yl)-2-butanone
Synonyms:
2-Butanone,1-(1,3-benzodioxol-5-yl)-;2-Butanone,1-[3,4-(methylenedioxy)phenyl]-;1-(1,3-Benzodioxol-5-yl)-2-butanone;1-(Benzo[d][1,3]dioxol-5-yl)butan-2-one;1-(2H-1,3-Benzodioxol-5-yl)butan-2-one

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1-(1,3-Benzodioxol-5-yl)-2-butanone Basic Attributes

Molecular Weight：

192.21100

Exact Mass：

192.21

EC Number：

245-384-2

DSSTox ID：

DTXSID3066847

HScode：

2932999099

Characteristics

PSA：

35.53000

XLogP3：

1.93690

Density：

1.175g/cm3

Boiling Point：

130-134 °C @ Press: 0.1 Torr

Flash Point：

120.7ºC

Refractive Index：

1.5375

Vapor Pressure：

0.00198mmHg at 25°C

Safety Information

safety instructions：

S24/25

1-(1,3-Benzodioxol-5-yl)-2-butanone Use and Manufacturing

Manufacturing Info：

2-Butanone, 1-(1,3-benzodioxol-5-yl)-: INACTIVE

Computed Properties

Molecular Weight:192.21
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,3-Benzodioxol-5-yl)-2-butanone

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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