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114491-34-8 | 2,5-Hexanedione, 1-diazo-
CAS No: 114491-34-8 Catalog No: AG000EJF MDL No:
Product Description
Catalog Number:
AG000EJF
Chemical Name:
2,5-Hexanedione, 1-diazo-
CAS Number:
114491-34-8
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
1-diazohexane-2,5-dione
InChI:
InChI=1S/C6H8N2O2/c1-5(9)2-3-6(10)4-8-7/h4H,2-3H2,1H3
InChI Key:
GMDNKJNUGWQSFA-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCC(=O)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Ruthenium(II) porphyrin catalyzed tandem carbonyl ylide formation and 1,3-dipolar cycloaddition reactions of alpha-diazo ketones. | Organic letters 20020919 |
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