1,3-Azetidinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester


Chemical Name: 1,3-Azetidinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
CAS Number: 757239-60-4
Product Number: AG003RK6(AGN-PC-07A7F3)
Synonyms:
MDL No: MFCD11110708
Molecular Formula: C13H15NO4
Molecular Weight: 249.2625

Identification/Properties


Properties
BP:
414.9±45.0°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
249.266g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
249.1g/mol
Monoisotopic Mass:
249.1g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
306
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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