1-Azetidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester


Chemical Name: 1-Azetidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS Number: 398489-26-4
Product Number: AG0035N0(AGN-PC-0K6CAX)
Synonyms:
MDL No: MFCD01861741
Molecular Formula: C8H13NO3
Molecular Weight: 171.1937

Identification/Properties


Properties
MP:
52-53°C
BP:
251.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
171.196g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
171.09g/mol
Monoisotopic Mass:
171.09g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
209
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


PNMR/N-Boc-azetidin-3-one-398489-26-4-hnmr.pdf

Other Analytical Data


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