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68776-60-3 | Oxazole-2-carbonitrile
CAS No: 68776-60-3 Catalog No: AG0061BD MDL No:MFCD08669511
Product Description
Catalog Number:
AG0061BD
Chemical Name:
Oxazole-2-carbonitrile
CAS Number:
68776-60-3
Molecular Formula:
C4H2N2O
Molecular Weight:
94.0715
MDL Number:
MFCD08669511
IUPAC Name:
1,3-oxazole-2-carbonitrile
InChI:
InChI=1S/C4H2N2O/c5-3-4-6-1-2-7-4/h1-2H
InChI Key:
UUAXDPHPSHEGQQ-UHFFFAOYSA-N
SMILES:
N#Cc1ncco1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.017g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.073g/mol
Monoisotopic Mass:
94.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Photochemical oxazole-nitrile conversion downstream of rhizoxin biosynthesis and its impact on antimitotic activity. | Organic & biomolecular chemistry 20120814 |
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