1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester


Chemical Name: 1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester
CAS Number: 15574-49-9
Product Number: AG001O5M(AGN-PC-0JTUOC)
Synonyms:
MDL No: MFCD00451373
Molecular Formula: C13H15NO3
Molecular Weight: 233.2631

Identification/Properties


Properties
MP:
210.0 to 214.0 °C
BP:
399.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
233.267g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
233.105g/mol
Monoisotopic Mass:
233.105g/mol
Topological Polar Surface Area:
51.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
294
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

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NMR Spectrum


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Chemical Structure



Mecarbinate is a versatile chemical compound that finds numerous applications in chemical synthesis processes. As a reagent, Mecarbinate serves as a key building block in the creation of pharmaceuticals, agrochemicals, and advanced materials. It is particularly valued for its ability to act as a nucleophilic scavenger, aiding in various reaction mechanisms such as nucleophilic substitutions and additions. Additionally, Mecarbinate's unique chemical properties make it a valuable tool in the synthesis of complex organic molecules, enabling chemists to achieve precise and efficient transformations. Its compatibility with a wide range of functional groups further enhances its utility in diverse synthetic pathways, making it a valuable ally in the hands of synthetic chemists seeking to develop novel compounds with potential applications in various industries.