4-Oxazolecarbonitrile


Chemical Name: 4-Oxazolecarbonitrile
CAS Number: 55242-84-7
Product Number: AG003LY0(AGN-PC-0713FS)
Synonyms:
MDL No: MFCD08059302
Molecular Formula: C4H2N2O
Molecular Weight: 94.0715

Identification/Properties


Properties
BP:
198.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
94.073g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
94.017g/mol
Monoisotopic Mass:
94.017g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
104
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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