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3,3-bis(cyanomethyl)-oxetane

3,3-bis(cyanomethyl)-oxetane structure

CAS No:
22030-97-3
Formula:
C7H8N2O
Chemical Name:
3,3-bis(cyanomethyl)-oxetane
Synonyms:
2-[3-(cyanomethyl)oxetan-3-yl]acetonitrile;3,3-Oxetanediacetonitrile;NSC521168;SCHEMBL10540334;CTK1A7622;DTXSID80325884;NSC-521168;DS-003851

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3,3-bis(cyanomethyl)-oxetane Basic Attributes

Molecular Weight：

136

Exact Mass：

136.064

NSC Number：

521168

DSSTox ID：

DTXSID80325884

Characteristics

PSA：

56.8

XLogP3：

-0.7

Density：

1.112±0.06 g/cm3(Predicted)

Melting Point：

76.5 °C(Solv: benzene (71-43-2))

Computed Properties

Molecular Weight:136.15
XLogP3:-0.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:136.063662883
Monoisotopic Mass:136.063662883
Topological Polar Surface Area:56.8
Heavy Atom Count:10
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-bis(cyanomethyl)-oxetane

Basic Attributes
Characteristics
Computed Properties

3,3-bis(cyanomethyl)-oxetane

SDS

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