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CAS Number: 20249-16-5
3-oxocyclobutanecarbonitrile

Structure

3-oxocyclobutanecarbonitrile
Name: 3-oxocyclobutanecarbonitrile
Synonyms:
General Information
Product Number: 20249165
CAS Registry Number: 20249-16-5
Name:
Cyclobutanecarbonitr​ile, 3-​oxo-
3-​Oxocyclobutanecarbon​itrile 
Deleted CAS Registry Numbers: 86770-​79-​8
 
Chemical Formula: C5H5NO
Exact Mass: 95.04
Molecular Weight: 95.10
m/z: 95.04 (100.0%), 96.04 (5.5%)
Elemental Analysis: C, 63.15; H, 5.30; N, 14.73; O, 16.82
 
InChI: InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2
InChIKey: MSAGLWTVMUDVDT-UHFFFAOYSA-N
Canonical SMILES : C1C(CC1=O)C#N
 
Thermal Properties Value Condition Note
Boiling Point 109-113 °C Press: 12 Torr (1)CAS

Specification

98%

References
  1. (1) Cripps, H. N.; Journal of the American Chemical Society 1959, V81, P2723-8 CAPLUS
  2. (2) Tishkov, A. A.; Tetrahedron 2001, V57(11), P2221-2230 CAPLUS
  3. (3) Elend, Dirk; Synthetic Communications 2005, V35(5), P657-662 CAPLUS
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