methyl 2-oxo-2-(4,5,6,7-tetradeuterio-1H-indol-3-yl)acetate


Chemical Name: methyl 2-oxo-2-(4,5,6,7-tetradeuterio-1H-indol-3-yl)acetate
CAS Number: 18372-22-0
Product Number: AG003S0K(AGN-PC-0JGU3N)
Synonyms:
MDL No:
Molecular Formula: C11H9NO3
Molecular Weight: 203.1941

Identification/Properties


Properties
MP:
227-230 °C(lit.)
BP:
383.2 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
203.197g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
203.058g/mol
Monoisotopic Mass:
203.058g/mol
Topological Polar Surface Area:
59.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
277
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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