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85059-18-3 | Acetamide, 2-cyano-2-diazo-
CAS No: 85059-18-3 Catalog No: AG004YHK MDL No:
Product Description
Catalog Number:
AG004YHK
Chemical Name:
Acetamide, 2-cyano-2-diazo-
CAS Number:
85059-18-3
Molecular Formula:
C3H2N4O
Molecular Weight:
110.0742
IUPAC Name:
2-cyano-2-diazoacetamide
InChI:
InChI=1S/C3H2N4O/c4-1-2(7-6)3(5)8/h(H2,5,8)
InChI Key:
JHICVYMFEWHUBG-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)N)C#N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.023g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.076g/mol
Monoisotopic Mass:
110.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Enantioenriched synthesis of cyclopropenes with a quaternary stereocenter, versatile building blocks. | Journal of the American Chemical Society 20110119 |
| TfNH2 as achiral hydrogen-bond donor additive to enhance the selectivity of a transition metal catalyzed reaction. Highly enantio- and diastereoselective rhodium-catalyzed cyclopropanation of alkenes using alpha-cyano diazoacetamide. | Journal of the American Chemical Society 20090527 |
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