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2,2′-Methylenebis[1,3-cyclohexanedione]

2,2′-Methylenebis[1,3-cyclohexanedione] structure

CAS No:
54135-60-3
Formula:
C13H16O4
Chemical Name:
2,2′-Methylenebis[1,3-cyclohexanedione]
Synonyms:
1,3-Cyclohexanedione,2,2′-methylenebis-;1,3-Cyclohexanedione,2,2′-methylenedi-;2,2′-Methylenebis[1,3-cyclohexanedione];Bis(2,6-dioxocyclohexyl)methane;M 50054;2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione

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Description

2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione is a beta-diketone.

2,2′-Methylenebis[1,3-cyclohexanedione] Basic Attributes

Molecular Weight：

236.26400

Exact Mass：

236.26

EC Number：

258-989-1

UNII：

NP899EA5D8

DSSTox ID：

DTXSID50202476

HScode：

2914299000

Characteristics

PSA：

68.28000

XLogP3：

1.25310

Density：

1.227 g/cm3

Melting Point：

132.5-133.5 °C

Boiling Point：

461.2ºC at 760 mmHg

Flash Point：

199ºC

Refractive Index：

1.52

Drug Information

MeSH Entry Terms：

2,2'-methylenebis(1,3-cyclohexanedione)

Computed Properties

Molecular Weight:236.26
XLogP3:0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:236.10485899
Monoisotopic Mass:236.10485899
Topological Polar Surface Area:68.3
Heavy Atom Count:17
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2′-Methylenebis[1,3-cyclohexanedione]

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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