tert-butyl 1,3-dihydroisoindole-2-carboxylate


Chemical Name: tert-butyl 1,3-dihydroisoindole-2-carboxylate
CAS Number: 260412-75-7
Product Number: AG002RGZ(AGN-PC-0CZOTK)
Synonyms:
MDL No:
Molecular Formula: C13H17NO2
Molecular Weight: 219.2796

Identification/Properties


Computed Properties
Molecular Weight:
219.284g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
219.126g/mol
Monoisotopic Mass:
219.126g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
256
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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