1H-Indole-5-carboxylic acid, 1-methyl-, methyl ester


Chemical Name: 1H-Indole-5-carboxylic acid, 1-methyl-, methyl ester
CAS Number: 128742-76-7
Product Number: AG000YD7(AGN-PC-0N8PDU)
Synonyms:
MDL No: MFCD11977801
Molecular Formula: C11H11NO2
Molecular Weight: 189.2105

Identification/Properties


Computed Properties
Molecular Weight:
189.214g/mol
XLogP3:
1.9
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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