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69094-15-1 | Pentanenitrile,4-oxo-5-[(2-oxo-3-oxazolidinyl)imino]-
CAS No: 69094-15-1 Catalog No: AG006CTH MDL No:
Product Description
Catalog Number:
AG006CTH
Chemical Name:
Pentanenitrile,4-oxo-5-[(2-oxo-3-oxazolidinyl)imino]-
CAS Number:
69094-15-1
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
IUPAC Name:
4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanenitrile
InChI:
InChI=1S/C8H9N3O3/c9-3-1-2-7(12)6-10-11-4-5-14-8(11)13/h6H,1-2,4-5H2
InChI Key:
GYCZNUWWKOYJHU-UHFFFAOYSA-N
SMILES:
C(C(=O)C=NN1CCOC1=O)CC#N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Disposition of 3-(4-cyano-2-oxobutylidene amino)-2-oxazolidone, a cyano-metabolite of furazolidone, in furazolidone-treated grouper. | Food additives and contaminants 20030301 |
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