1H-Indole-1-carboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester


Chemical Name: 1H-Indole-1-carboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS Number: 218772-62-4
Product Number: AG006YZA(AGN-PC-00P1S4)
Synonyms:
MDL No:
Molecular Formula: C15H16N2O2
Molecular Weight: 256.2997

Identification/Properties


Computed Properties
Molecular Weight:
256.305g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
256.121g/mol
Monoisotopic Mass:
256.121g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
391
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


NMR Spectrum


Other Analytical Data


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