1H-Indole-2-carboxylic acid, 5-cyano-, ethyl ester


Chemical Name: 1H-Indole-2-carboxylic acid, 5-cyano-, ethyl ester
CAS Number: 105191-13-7
Product Number: AG008RPT(AGN-PC-0LFZ4Q)
Synonyms:
MDL No: MFCD04966999
Molecular Formula: C12H10N2O2
Molecular Weight: 214.2200

Identification/Properties


Computed Properties
Molecular Weight:
214.224g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
214.074g/mol
Monoisotopic Mass:
214.074g/mol
Topological Polar Surface Area:
65.9A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
320
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


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