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3-Pyrrolidinecarbonitrile,2-Oxo

3-Pyrrolidinecarbonitrile,2-Oxo structure

CAS No:
89322-69-0
Formula:
C5H6N2O
Chemical Name:
3-Pyrrolidinecarbonitrile,2-Oxo
Synonyms:
3-Pyrrolidinecarbonitrile, 2-Oxo;2-oxopyrrolidine-3-carbonitrile;2-oxo-3-pyrrolidinecarbonitrile

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3-Pyrrolidinecarbonitrile,2-Oxo Basic Attributes

Molecular Weight：

110.11

Exact Mass：

110.048012819

DSSTox ID：

DTXSID50717530

HScode：

2933790090

Characteristics

PSA：

56.38000

XLogP3：

-0.07802

Density：

1.19±0.1 g/cm3

Melting Point：

78-79 °C(Solv: acetone (67-64-1))

Boiling Point：

407.5±38.0 °C(Predicted)

PKA：

18.62±0.40

Computed Properties

Molecular Weight:110.11
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:110.048012819
Monoisotopic Mass:110.048012819
Topological Polar Surface Area:52.9
Heavy Atom Count:8
Complexity:155
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Pyrrolidinecarbonitrile,2-Oxo

Basic Attributes
Characteristics
Computed Properties

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