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1{H}-tetrazol-5-ylacetonitrile

1{H}-tetrazol-5-ylacetonitrile structure

CAS No:
13616-36-9
Formula:
C3H3N5
Chemical Name:
1{H}-tetrazol-5-ylacetonitrile
Synonyms:
1{H}-tetrazol-5-ylacetonitrile;2H-Tetrazole-5-acetonitrile

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1{H}-tetrazol-5-ylacetonitrile Basic Attributes

Molecular Weight：

109.09

Exact Mass：

109.039

Characteristics

PSA：

78.25

XLogP3：

-0.73422

Density：

1.481±0.06 g/cm3

Melting Point：

116-117 °C

Boiling Point：

381.5±44.0 °C(Predicted)

PKA：

3.69±0.10

Computed Properties

Molecular Weight:109.09
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:109.03884512
Monoisotopic Mass:109.03884512
Topological Polar Surface Area:78.2
Heavy Atom Count:8
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1{H}-tetrazol-5-ylacetonitrile

Basic Attributes
Characteristics
Computed Properties

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