1H-Indole-2-carboxylic acid, 6-cyano-, methyl ester


Chemical Name: 1H-Indole-2-carboxylic acid, 6-cyano-, methyl ester
CAS Number: 104291-83-0
Product Number: AG008RPX(AGN-PC-0LWY1Y)
Synonyms:
MDL No:
Molecular Formula: C11H8N2O2
Molecular Weight: 200.1934

Identification/Properties


Computed Properties
Molecular Weight:
200.197g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
200.059g/mol
Monoisotopic Mass:
200.059g/mol
Topological Polar Surface Area:
65.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
307
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

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NMR Spectrum


Other Analytical Data


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