1H-Indole-6-carboxylic acid, 4-methoxy-, methyl ester


Chemical Name: 1H-Indole-6-carboxylic acid, 4-methoxy-, methyl ester
CAS Number: 41082-79-5
Product Number: AG00BY0N(AGN-PC-0NHWRF)
Synonyms:
MDL No:
Molecular Formula: C11H11NO3
Molecular Weight: 205.2099

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
205.213g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
205.074g/mol
Monoisotopic Mass:
205.074g/mol
Topological Polar Surface Area:
51.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
244
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 4-methoxy-1H-indole-6-carboxylate is a versatile compound commonly employed in chemical synthesis processes. This compound is frequently utilized as a key building block in the creation of various pharmaceuticals, agrochemicals, and other important organic molecules. Its unique structure and reactivity make it a valuable tool for organic chemists looking to introduce specific functional groups or stereochemistry into their target molecules. Additionally, Methyl 4-methoxy-1H-indole-6-carboxylate can serve as a precursor for the synthesis of complex intermediates, enabling the efficient production of diverse compounds with tailored properties and functionalities. Its strategic importance in chemical synthesis makes it an indispensable component in the toolkit of synthetic chemists striving to unlock new possibilities in drug discovery, material science, and beyond.