3-Azetidinecarboxylic acid, 1-(phenylmethyl)-


Chemical Name: 3-Azetidinecarboxylic acid, 1-(phenylmethyl)-
CAS Number: 94985-27-0
Product Number: AG005TLG(AGN-PC-0KPZM3)
Synonyms:
MDL No:
Molecular Formula: C11H13NO2
Molecular Weight: 191.2264

Identification/Properties


Properties
BP:
327.5 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
191.23g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
191.094629g/mol
Monoisotopic Mass:
191.094629g/mol
Topological Polar Surface Area:
40.5Ų
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
205
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:
H315-H317-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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