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3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-one

3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-one structure

CAS No:
959239-60-2
Formula:
C8H13N3O
Chemical Name:
3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-one

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3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-one Basic Attributes

Molecular Weight：

167.20800

Exact Mass：

167.105862047

DSSTox ID：

DTXSID60650944

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

1.04390

Density：

1.13g/cm3

Boiling Point：

294.3ºC

Flash Point：

131.8ºC

Refractive Index：

1.552

Computed Properties

Molecular Weight:167.21
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:167.105862047
Monoisotopic Mass:167.105862047
Topological Polar Surface Area:47.8
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-one

Basic Attributes
Characteristics
Computed Properties

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