1H-Indole-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester


Chemical Name: 1H-Indole-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS Number: 199328-10-4
Product Number: AG002C2A(AGN-PC-0KKVHQ)
Synonyms:
MDL No: MFCD02179600
Molecular Formula: C10H9NO3
Molecular Weight: 191.1834

Identification/Properties


Properties
MP:
192-199 °C
BP:
405.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
191.186g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
191.058g/mol
Monoisotopic Mass:
191.058g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
264
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


NMR Spectrum


Other Analytical Data


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