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

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

CAS No:
60728-89-4
Formula:
C5H6N4O3
Chemical Name:
1-(3-nitro-1,2,4-triazol-1-yl)propan-2-one
Synonyms:
1-acetonyl-3-nitro-1,2,4-triazole;

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

Molecular Weight：

170.12600

Exact Mass：

170.04399007

DSSTox ID：

DTXSID60362550

HScode：

2933990090

Characteristics

PSA：

93.60000

XLogP3：

0.29850

Density：

1.59g/cm3

Boiling Point：

396.3ºC at 760 mmHg

Flash Point：

193.5ºC

Refractive Index：

1.662

Computed Properties

Molecular Weight:170.13
XLogP3:-0.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:170.04399007
Monoisotopic Mass:170.04399007
Topological Polar Surface Area:93.6
Heavy Atom Count:12
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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