1H-Indole-1-carboxylic acid, 2,3-dihydro-2-oxo-, 1,1-dimethylethyl ester


Chemical Name: 1H-Indole-1-carboxylic acid, 2,3-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS Number: 214610-10-3
Product Number: AG00719W(AGN-PC-0NEXEY)
Synonyms:
MDL No:
Molecular Formula: C13H15NO3
Molecular Weight: 233.2631

Identification/Properties


Computed Properties
Molecular Weight:
233.267g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
233.105g/mol
Monoisotopic Mass:
233.105g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
332
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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