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71404-99-4 | (S)-[1-(Benzyloxy)-2-oxo-3-azetidinyl]carbamic Acid Benzyl Ester
CAS No: 71404-99-4 Catalog No: AG005IYW MDL No:
Product Description
Catalog Number:
AG005IYW
Chemical Name:
(S)-[1-(Benzyloxy)-2-oxo-3-azetidinyl]carbamic Acid Benzyl Ester
CAS Number:
71404-99-4
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
benzyl N-[(3S)-2-oxo-1-phenylmethoxyazetidin-3-yl]carbamate
InChI:
InChI=1S/C18H18N2O4/c21-17-16(11-20(17)24-13-15-9-5-2-6-10-15)19-18(22)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)/t16-/m0/s1
InChI Key:
BOQJARCVFUIRKV-INIZCTEOSA-N
SMILES:
O=C(N[C@H]1CN(C1=O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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