Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-6-nitro-


Chemical Name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-6-nitro-
CAS Number: 27402-68-2
Product Number: AG003MX7(AGN-PC-0R3881)
Synonyms:
MDL No:
Molecular Formula: C20H11NO7
Molecular Weight: 377.3038

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
377.308g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
0
Exact Mass:
377.054g/mol
Monoisotopic Mass:
377.054g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
637
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



In chemical synthesis, 3',6'-Dihydroxy-6-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one serves as a valuable building block for the creation of intricate organic molecules. This compound can be utilized as a key intermediate for the synthesis of novel dyes, pharmaceuticals, and natural product derivatives. Due to its unique structure and functional groups, it enables chemists to introduce specific modifications and achieve desired reactivity in complex chemical reactions. The presence of hydroxy and nitro groups in strategic positions allows for precise manipulation of the molecule's properties, making it a versatile tool in the design and assembly of diverse molecular structures.