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5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione

5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione structure

CAS No:
55579-76-5
Formula:
C13H12O4
Chemical Name:
5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione
Synonyms:
5-(2H-1,3-Benzodioxol-5-Yl)Cyclohexane-1,3-Dione; 5-(benzo[d][1,3]dioxol-5-yl)cyclohexane-1,3-dione; 5-[3,4-(Methylenedioxy)phenyl]-1,3-cyclohexanedione; 5-benzo[1,3]dioxol-5-yl-cyclohexane-1,3-dione;

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5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione Basic Attributes

Molecular Weight：

232.23200

Exact Mass：

232.07355886

DSSTox ID：

DTXSID00380410

HScode：

2932999099

Characteristics

PSA：

52.60000

XLogP3：

1.82100

Density：

1.328g/cm3

Melting Point：

179-181ºC

Boiling Point：

413.5ºC

Flash Point：

187.3ºC

Refractive Index：

1.584

Computed Properties

Molecular Weight:232.23
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:232.07355886
Monoisotopic Mass:232.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:17
Complexity:322
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione

Basic Attributes
Characteristics
Computed Properties

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