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

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

CAS No:
153334-14-6
Formula:
C6H9N3O
Chemical Name:
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
Synonyms:
1-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-1-PROPANONE;

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

Molecular Weight：

139.15500

Exact Mass：

139.074561919

DSSTox ID：

DTXSID50566404

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

0.40780

Density：

1.19g/cm3

Boiling Point：

277ºC

Flash Point：

121.3ºC

Refractive Index：

1.571

Vapor Pressure：

0.00464mmHg at 25°C

Computed Properties

Molecular Weight:139.16
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:139.074561919
Monoisotopic Mass:139.074561919
Topological Polar Surface Area:47.8
Heavy Atom Count:10
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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