2-ethoxycarbonyl-1H-indole-3-carboxylic acid


Chemical Name: 2-ethoxycarbonyl-1H-indole-3-carboxylic acid
CAS Number: 441800-93-7
Product Number: AG00729N(AGN-PC-09SHAL)
Synonyms:
MDL No:
Molecular Formula: C12H11NO4
Molecular Weight: 233.2200

Identification/Properties


Computed Properties
Molecular Weight:
233.223g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
233.069g/mol
Monoisotopic Mass:
233.069g/mol
Topological Polar Surface Area:
79.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
318
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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