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88820-48-8 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-pyridazinylamino)methylene]-
CAS No: 88820-48-8 Catalog No: AG004AJG MDL No:
Product Description
Catalog Number:
AG004AJG
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-pyridazinylamino)methylene]-
CAS Number:
88820-48-8
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
2,2-dimethyl-5-[(pyridazin-3-ylamino)methylidene]-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C11H11N3O4/c1-11(2)17-9(15)7(10(16)18-11)6-12-8-4-3-5-13-14-8/h3-6H,1-2H3,(H,12,14)
InChI Key:
LACBWYOXANICEE-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1=CNc1cccnn1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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