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


Chemical Name: 1H-Indole-5-carboxylic acid, 1-methyl-
CAS Number: 186129-25-9
Product Number: AG003EI9(AGN-PC-0LW6Q7)
Synonyms:
MDL No: MFCD03839859
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840

Identification/Properties


Properties
MP:
221-223.5 °C
BP:
389°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
175.187g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
175.063g/mol
Monoisotopic Mass:
175.063g/mol
Topological Polar Surface Area:
42.2A^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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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