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1,2,4-Triazol-5-one

1,2,4-Triazol-5-one structure

CAS No:
42131-33-9
Formula:
C2HN3O
Chemical Name:
1,2,4-Triazol-5-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1,2,4-Triazol-5-one Basic Attributes

Molecular Weight：

83.04880

Exact Mass：

83.011961664

HScode：

2933990090

Characteristics

PSA：

54.15000

XLogP3：

-1.09270

Density：

1.767g/cm3

Melting Point：

235-237ºC

Boiling Point：

108.608ºC at 760 mmHg

Flash Point：

27.084ºC

Refractive Index：

1.754

Computed Properties

Molecular Weight:83.05
XLogP3:0.3
Hydrogen Bond Acceptor Count:1
Exact Mass:83.011961664
Monoisotopic Mass:83.011961664
Topological Polar Surface Area:54.2
Heavy Atom Count:6
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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