1,2-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-


Chemical Name: 1,2-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number: 51077-14-6
Product Number: AG00DKIR(AGN-PC-0OBFQE)
Synonyms:
MDL No:
Molecular Formula: C9H15NO4
Molecular Weight: 201.2197

Identification/Properties


Properties
MP:
105-110 °C
BP:
321°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4640 (estimate)
Computed Properties
Molecular Weight:
201.222g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
201.1g/mol
Monoisotopic Mass:
201.1g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
256
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/S-N-BOC-azetidine_carboxylic_acid-51077-14-6-hnmr.pdf

Other Analytical Data


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