1H-Indole-2-carboxylic acid, 7-methyl-


Chemical Name: 1H-Indole-2-carboxylic acid, 7-methyl-
CAS Number: 18474-60-7
Product Number: AG00I1IG(AGN-PC-0KRYR2)
Synonyms:
MDL No:
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840

Identification/Properties


Properties
MP:
169-175 °C
BP:
413.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
175.187g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
175.063g/mol
Monoisotopic Mass:
175.063g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
217
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



7-Methyl-1H-indole-2-carboxylic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis processes. This compound serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and functional materials. In synthetic chemistry, 7-Methyl-1H-indole-2-carboxylic acid is commonly employed as a key intermediate in the formation of complex organic molecules due to its structural properties and reactivity. Its functional groups allow for facile modification and derivatization, enabling chemists to introduce diverse functionalities and structural motifs into target molecules. Additionally, the presence of the indole moiety confers unique electronic properties that are advantageous in the design of bioactive compounds. As a result, 7-Methyl-1H-indole-2-carboxylic acid plays a crucial role in the development of novel drugs, advanced materials, and specialty chemicals.