tert-Butyl 6-hydroxyindoline-1-carboxylate


Chemical Name: tert-Butyl 6-hydroxyindoline-1-carboxylate
CAS Number: 957204-30-7
Product Number: AG00IJEJ(AGN-PC-0WAFAL)
Synonyms:
MDL No:
Molecular Formula: C13H17NO3
Molecular Weight: 235.2790

Identification/Properties


Computed Properties
Molecular Weight:
235.283g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
235.121g/mol
Monoisotopic Mass:
235.121g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
298
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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