3-Azetidinecarboxylic acid, 1,1-dimethylethyl ester


Chemical Name: 3-Azetidinecarboxylic acid, 1,1-dimethylethyl ester
CAS Number: 790600-78-1
Product Number: AG00G9OP(AGN-PC-03GB0D)
Synonyms:
MDL No:
Molecular Formula: C8H15NO2
Molecular Weight: 157.2102

Identification/Properties


Computed Properties
Molecular Weight:
157.213g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
157.11g/mol
Monoisotopic Mass:
157.11g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
156
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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