1-Azetidinecarboxylic acid, 3-cyano-, phenylmethyl ester


Chemical Name: 1-Azetidinecarboxylic acid, 3-cyano-, phenylmethyl ester
CAS Number: 288851-42-3
Product Number: AG002WY7(AGN-PC-07A7F2)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O2
Molecular Weight: 216.2359

Identification/Properties


Properties
BP:
391.049 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
216.24g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
216.09g/mol
Monoisotopic Mass:
216.09g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
295
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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