5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]


Chemical Name: 5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CAS Number: 16331-96-7
Product Number: AG001U0V(AGN-PC-0JLVZO)
Synonyms:
MDL No:
Molecular Formula: C20H20N2O4
Molecular Weight: 352.3838

Identification/Properties


Computed Properties
Molecular Weight:
352.39g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
352.142g/mol
Monoisotopic Mass:
352.142g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
601
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



In chemical synthesis, Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro- can serve as a versatile building block due to its unique spirocyclic structure. This compound can be utilized as a key intermediate in the construction of complex organic molecules with diverse functionalities. Its spirocyclic framework provides rigidity and stereochemical control, making it a valuable tool in the development of new pharmaceuticals, agrochemicals, and materials. By incorporating this compound into chemical reactions, researchers can access novel molecular scaffolds and explore new pathways for the synthesis of bioactive compounds with potential applications in drug discovery and materials science.