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919779-11-6 | 4H-1,3-Dioxin-4-one, 6-hydroxy-2,2-dimethyl-5-[2-(2-thiazolyl)diazenyl]-
CAS No: 919779-11-6 Catalog No: AG006556 MDL No:
Product Description
Catalog Number:
AG006556
Chemical Name:
4H-1,3-Dioxin-4-one, 6-hydroxy-2,2-dimethyl-5-[2-(2-thiazolyl)diazenyl]-
CAS Number:
919779-11-6
Molecular Formula:
C9H9N3O4S
Molecular Weight:
255.2505
IUPAC Name:
2,2-dimethyl-5-(1,3-thiazol-2-ylhydrazinylidene)-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C9H9N3O4S/c1-9(2)15-6(13)5(7(14)16-9)11-12-8-10-3-4-17-8/h3-4H,1-2H3,(H,10,12)
InChI Key:
NLEUBKBEOJHNNB-UHFFFAOYSA-N
SMILES:
OC1=C(N=Nc2nccs2)C(=O)OC(O1)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.248g/mol
Monoisotopic Mass:
255.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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