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114342-03-9 | 1-Azetidineacetic acid, 2-oxo-, phenylmethyl ester
CAS No: 114342-03-9 Catalog No: AG000B3Y MDL No:MFCD25955821
Product Description
Catalog Number:
AG000B3Y
Chemical Name:
1-Azetidineacetic acid, 2-oxo-, phenylmethyl ester
CAS Number:
114342-03-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD25955821
IUPAC Name:
benzyl 2-(2-oxoazetidin-1-yl)acetate
InChI:
InChI=1S/C12H13NO3/c14-11-6-7-13(11)8-12(15)16-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
GLBORJLXZSTHCT-UHFFFAOYSA-N
SMILES:
O=C(CN1CCC1=O)OCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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