1H-Indole-2-carboxylic acid, 5-(methylsulfonyl)-, methyl ester


Chemical Name: 1H-Indole-2-carboxylic acid, 5-(methylsulfonyl)-, methyl ester
CAS Number: 205873-28-5
Product Number: AG002ADZ(AGN-PC-0JVO3K)
Synonyms:
MDL No:
Molecular Formula: C11H11NO4S
Molecular Weight: 253.2743

Identification/Properties


Computed Properties
Molecular Weight:
253.272g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
253.041g/mol
Monoisotopic Mass:
253.041g/mol
Topological Polar Surface Area:
84.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
400
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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