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2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitroimidazole

2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitroimidazole structure

CAS No:
139157-69-0
Formula:
C11H15N3O4
Chemical Name:
2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitroimidazole
Synonyms:
1H-Imidazole,2-((2,2-dimethyl-1,3-dioxan-5-ylidene)methyl)-1-methyl-5-nitro; 2-((2,2-Dimethyl-1,3-dioxan-5-ylidene)methyl)-1-methyl-5-nitro-1H-imidazole; 1-methyl 2-(2,2-dimethyl 1,3-dioxane 5-ylidenemethyl) 5-nitroimidazole;

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2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitroimidazole Basic Attributes

Molecular Weight：

253.25400

Exact Mass：

253.10625597 g/mol

DSSTox ID：

DTXSID50160941

Characteristics

PSA：

82.10000

XLogP3：

2.01780

Density：

1.33g/cm3

Boiling Point：

435.8ºC

Flash Point：

217.3ºC

Refractive Index：

1.586

Vapor Pressure：

8.53E-08mmHg at 25°C

Computed Properties

Molecular Weight:253.25
XLogP3:-0.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:253.10625597
Monoisotopic Mass:253.10625597
Topological Polar Surface Area:82.1
Heavy Atom Count:18
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitroimidazole

Basic Attributes
Characteristics
Computed Properties

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