1H-Indole-3-carboxylic acid, 1-methyl-, methyl ester


Chemical Name: 1H-Indole-3-carboxylic acid, 1-methyl-, methyl ester
CAS Number: 108438-43-3
Product Number: AG0083O6(AGN-PC-0JWVGJ)
Synonyms:
MDL No:
Molecular Formula: C11H11NO2
Molecular Weight: 189.2105

Identification/Properties


Computed Properties
Molecular Weight:
189.214g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
189.079g/mol
Monoisotopic Mass:
189.079g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
229
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


Other Analytical Data


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