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116139-21-0 | 3-Hexene-2,5-dione, 3-azido-, (Z)- (9CI)
CAS No: 116139-21-0 Catalog No: AG000BQI MDL No:
Product Description
Catalog Number:
AG000BQI
Chemical Name:
3-Hexene-2,5-dione, 3-azido-, (Z)- (9CI)
CAS Number:
116139-21-0
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
IUPAC Name:
3-azidohex-3-ene-2,5-dione
InChI:
InChI=1S/C6H7N3O2/c1-4(10)3-6(5(2)11)8-9-7/h3H,1-2H3
InChI Key:
PSWFETPWMXVFMF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=N/C(=C\C(=O)C)/C(=O)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| gamma-Hydroxyalkynyl ketones as useful scaffolds for the preparation of combinatorial libraries of furans, isoxazoles and pyrazoles. | Journal of combinatorial chemistry 20040101 |
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