1H-Indole-1-carboxylic acid, 5-methoxy-, 1,1-dimethylethyl ester


Chemical Name: 1H-Indole-1-carboxylic acid, 5-methoxy-, 1,1-dimethylethyl ester
CAS Number: 99275-47-5
Product Number: AG003B14(AGN-PC-00H2CW)
Synonyms:
MDL No:
Molecular Formula: C14H17NO3
Molecular Weight: 247.2897

Identification/Properties


Properties
MP:
82-85 °C
BP:
357.34 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
247.294g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
247.121g/mol
Monoisotopic Mass:
247.121g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
311
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:
Danger
UN#:
2811
Hazard Statements:
H301-H319
Precautionary Statements:
P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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