1H-Indole-6-carboxylic acid, 3-formyl-, methyl ester


Chemical Name: 1H-Indole-6-carboxylic acid, 3-formyl-, methyl ester
CAS Number: 133831-28-4
Product Number: AG003RSB(AGN-PC-0JVO3J)
Synonyms:
MDL No: MFCD00216479
Molecular Formula: C11H9NO3
Molecular Weight: 203.1941

Identification/Properties


Properties
MP:
219-224 °C
BP:
404.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.4950 (estimate)
Computed Properties
Molecular Weight:
203.197g/mol
XLogP3:
1.5
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:
267
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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